Jump To Section:

Identification Taxonomy Ontology Physical properties Spectra Biological properties Concentrations Links References enzymes (3) Show 3 proteins XML

Record Information

Version

5.0

Status

Detected but not Quantified

Creation Date

2021-09-11 00:20:00 UTC

Update Date

2021-10-01 18:58:20 UTC

HMDB ID

HMDB0247327

Secondary Accession Numbers

None

Metabolite Identification

Common Name

4-Amino-5-hydroxymethyl-2-methylpyrimidine

Description

4-Amino-5-hydroxymethyl-2-methylpyrimidine, also known as toxopyrimidine or pyramine, belongs to the class of organic compounds known as hydropyrimidines. Hydropyrimidines are compounds containing a hydrogenated pyrimidine ring (i.e. containing less than the maximum number of double bonds.). 4-Amino-5-hydroxymethyl-2-methylpyrimidine has been detected, but not quantified in, several different foods, such as dates (Phoenix dactylifera), mamey sapotes (Pouteria sapota), pepper (spice), allspices (Pimenta dioica), and common sages (Salvia officinalis). This could make 4-amino-5-hydroxymethyl-2-methylpyrimidine a potential biomarker for the consumption of these foods. 4-Amino-5-hydroxymethyl-2-methylpyrimidine is a primary metabolite. Primary metabolites are metabolically or physiologically essential metabolites. They are directly involved in an organism’s growth, development or reproduction. Based on a literature review a significant number of articles have been published on 4-Amino-5-hydroxymethyl-2-methylpyrimidine. This compound has been identified in human blood as reported by (PMID: 31557052 ). 4-amino-5-hydroxymethyl-2-methylpyrimidine is not a naturally occurring metabolite and is only found in those individuals exposed to this compound or its derivatives. Technically 4-Amino-5-hydroxymethyl-2-methylpyrimidine is part of the human exposome. The exposome can be defined as the collection of all the exposures of an individual in a lifetime and how those exposures relate to health. An individual's exposure begins before birth and includes insults from environmental and occupational sources.

Structure

MOL 3D MOL SDF 3D SDF PDB 3D PDB SMILES InChI

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
2-Methyl-4-amino-5-hydroxymethylpyrimidine	ChEBI
4-Amino-2-methyl-5-hydroxymethylpyrimidine	ChEBI
4-Amino-2-methyl-5-pyrimidinemethanol	ChEBI
Atoxopyrimidine	ChEBI
Pyramin	ChEBI
Pyramine	ChEBI
Toxopyrimidine	ChEBI
HMP	Kegg
HMP CPD	HMDB

Chemical Formula

C₆H₉N₃O

Average Molecular Weight

139.1552

Monoisotopic Molecular Weight

139.074561925

IUPAC Name

(4-amino-2-methylpyrimidin-5-yl)methanol

Traditional Name

toxopyrimidine

CAS Registry Number

Not Available

SMILES

CC1=NC=C(CO)C(N)=N1

InChI Identifier

InChI=1S/C6H9N3O/c1-4-8-2-5(3-10)6(7)9-4/h2,10H,3H2,1H3,(H2,7,8,9)

InChI Key

VUTBELPREDJDDH-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as hydropyrimidines. Hydropyrimidines are compounds containing a hydrogenated pyrimidine ring (i.E. Containing less than the maximum number of double bonds.).

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Diazines

Sub Class

Pyrimidines and pyrimidine derivatives

Direct Parent

Hydropyrimidines

Alternative Parents

Substituents

Imidolactam
Hydropyrimidine
Heteroaromatic compound
Azacycle
Organic nitrogen compound
Organic oxygen compound
Organopnictogen compound
Hydrocarbon derivative
Aromatic alcohol
Primary alcohol
Organooxygen compound
Organonitrogen compound
Alcohol
Aromatic heteromonocyclic compound

Molecular Framework

Aromatic heteromonocyclic compounds

External Descriptors

aminopyrimidine (CHEBI:16892 )
aromatic primary alcohol (CHEBI:16892 )
a small molecule (HMP )

Ontology

Physiological effect

Not Available

Disposition

Biological location

Non-excretory biofluid

Biofluid or Excreta

Blood (PMID: 31557052)

Process

Naturally occurring process

Biological process

Biochemical pathway

Metabolic pathway

Vitamin B1/Thiamine Metabolism (PathBank: SMP0002385)

Role

Not Available

Physical Properties

State

Not Available

Experimental Molecular Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
logP	-0.26	ALOGPS
logP	-0.36	ChemAxon
logS	-1.1	ALOGPS
pKa (Strongest Acidic)	14.41	ChemAxon
pKa (Strongest Basic)	6.17	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	4	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	72.03 Å²	ChemAxon
Rotatable Bond Count	1	ChemAxon
Refractivity	39.18 m³·mol⁻¹	ChemAxon
Polarizability	14.2 Å³	ChemAxon
Number of Rings	1	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DeepCCS	[M+H]+	134.085	30932474
DeepCCS	[M-H]-	130.296	30932474
DeepCCS	[M-2H]-	167.761	30932474
DeepCCS	[M+Na]+	143.101	30932474
AllCCS	[M+H]+	130.9	32859911
AllCCS	[M+H-H2O]+	126.3	32859911
AllCCS	[M+NH4]+	135.1	32859911
AllCCS	[M+Na]+	136.3	32859911
AllCCS	[M-H]-	127.9	32859911
AllCCS	[M+Na-2H]-	129.8	32859911
AllCCS	[M+HCOO]-	131.8	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
4-Amino-5-hydroxymethyl-2-methylpyrimidine	CC1=NC=C(CO)C(N)=N1	2426.8	Standard polar	33892256
4-Amino-5-hydroxymethyl-2-methylpyrimidine	CC1=NC=C(CO)C(N)=N1	1463.7	Standard non polar	33892256
4-Amino-5-hydroxymethyl-2-methylpyrimidine	CC1=NC=C(CO)C(N)=N1	1480.2	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
4-Amino-5-hydroxymethyl-2-methylpyrimidine,2TMS,isomer #1	CC1=NC=C(CO[Si](C)(C)C)C(N[Si](C)(C)C)=N1	1621.5	Semi standard non polar	33892256
4-Amino-5-hydroxymethyl-2-methylpyrimidine,2TMS,isomer #1	CC1=NC=C(CO[Si](C)(C)C)C(N[Si](C)(C)C)=N1	1605.1	Standard non polar	33892256
4-Amino-5-hydroxymethyl-2-methylpyrimidine,2TMS,isomer #1	CC1=NC=C(CO[Si](C)(C)C)C(N[Si](C)(C)C)=N1	2181.9	Standard polar	33892256
4-Amino-5-hydroxymethyl-2-methylpyrimidine,2TMS,isomer #2	CC1=NC=C(CO)C(N([Si](C)(C)C)[Si](C)(C)C)=N1	1635.6	Semi standard non polar	33892256
4-Amino-5-hydroxymethyl-2-methylpyrimidine,2TMS,isomer #2	CC1=NC=C(CO)C(N([Si](C)(C)C)[Si](C)(C)C)=N1	1791.1	Standard non polar	33892256
4-Amino-5-hydroxymethyl-2-methylpyrimidine,2TMS,isomer #2	CC1=NC=C(CO)C(N([Si](C)(C)C)[Si](C)(C)C)=N1	2161.1	Standard polar	33892256
4-Amino-5-hydroxymethyl-2-methylpyrimidine,3TMS,isomer #1	CC1=NC=C(CO[Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=N1	1682.8	Semi standard non polar	33892256
4-Amino-5-hydroxymethyl-2-methylpyrimidine,3TMS,isomer #1	CC1=NC=C(CO[Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=N1	1747.6	Standard non polar	33892256
4-Amino-5-hydroxymethyl-2-methylpyrimidine,3TMS,isomer #1	CC1=NC=C(CO[Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=N1	1946.3	Standard polar	33892256
4-Amino-5-hydroxymethyl-2-methylpyrimidine,2TBDMS,isomer #1	CC1=NC=C(CO[Si](C)(C)C(C)(C)C)C(N[Si](C)(C)C(C)(C)C)=N1	2089.3	Semi standard non polar	33892256
4-Amino-5-hydroxymethyl-2-methylpyrimidine,2TBDMS,isomer #1	CC1=NC=C(CO[Si](C)(C)C(C)(C)C)C(N[Si](C)(C)C(C)(C)C)=N1	1996.5	Standard non polar	33892256
4-Amino-5-hydroxymethyl-2-methylpyrimidine,2TBDMS,isomer #1	CC1=NC=C(CO[Si](C)(C)C(C)(C)C)C(N[Si](C)(C)C(C)(C)C)=N1	2367.1	Standard polar	33892256
4-Amino-5-hydroxymethyl-2-methylpyrimidine,2TBDMS,isomer #2	CC1=NC=C(CO)C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N1	2067.5	Semi standard non polar	33892256
4-Amino-5-hydroxymethyl-2-methylpyrimidine,2TBDMS,isomer #2	CC1=NC=C(CO)C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N1	2191.7	Standard non polar	33892256
4-Amino-5-hydroxymethyl-2-methylpyrimidine,2TBDMS,isomer #2	CC1=NC=C(CO)C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N1	2287.1	Standard polar	33892256
4-Amino-5-hydroxymethyl-2-methylpyrimidine,3TBDMS,isomer #1	CC1=NC=C(CO[Si](C)(C)C(C)(C)C)C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N1	2283.4	Semi standard non polar	33892256
4-Amino-5-hydroxymethyl-2-methylpyrimidine,3TBDMS,isomer #1	CC1=NC=C(CO[Si](C)(C)C(C)(C)C)C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N1	2349.0	Standard non polar	33892256
4-Amino-5-hydroxymethyl-2-methylpyrimidine,3TBDMS,isomer #1	CC1=NC=C(CO[Si](C)(C)C(C)(C)C)C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N1	2280.2	Standard polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - 4-Amino-5-hydroxymethyl-2-methylpyrimidine GC-MS (Non-derivatized) - 70eV, Positive	splash10-0abi-1900000000-e3106b1f3a699dcbb5cf	2016-09-22	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 4-Amino-5-hydroxymethyl-2-methylpyrimidine GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 4-Amino-5-hydroxymethyl-2-methylpyrimidine GC-MS (TMS_1_1) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 4-Amino-5-hydroxymethyl-2-methylpyrimidine GC-MS (TMS_1_2) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 4-Amino-5-hydroxymethyl-2-methylpyrimidine GC-MS (TBDMS_1_1) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 4-Amino-5-hydroxymethyl-2-methylpyrimidine GC-MS (TBDMS_1_2) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 4-Amino-5-hydroxymethyl-2-methylpyrimidine 10V, Positive-QTOF	splash10-006x-0900000000-1464721132642f06c763	2015-05-27	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 4-Amino-5-hydroxymethyl-2-methylpyrimidine 20V, Positive-QTOF	splash10-00di-1900000000-ffcb98d194c46375afed	2015-05-27	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 4-Amino-5-hydroxymethyl-2-methylpyrimidine 40V, Positive-QTOF	splash10-007k-9200000000-146c29035e7732b4a386	2015-05-27	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 4-Amino-5-hydroxymethyl-2-methylpyrimidine 10V, Negative-QTOF	splash10-000i-0900000000-a6fee6edf0aa915e501a	2015-05-27	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 4-Amino-5-hydroxymethyl-2-methylpyrimidine 20V, Negative-QTOF	splash10-0a4r-4900000000-7fb22624813fc7a88208	2015-05-27	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 4-Amino-5-hydroxymethyl-2-methylpyrimidine 40V, Negative-QTOF	splash10-0006-9000000000-fd0e2a1b16eb26493e89	2015-05-27	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 4-Amino-5-hydroxymethyl-2-methylpyrimidine 10V, Positive-QTOF	splash10-00dl-0900000000-bcee92b22282400d9aa9	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 4-Amino-5-hydroxymethyl-2-methylpyrimidine 20V, Positive-QTOF	splash10-00e9-7900000000-c3b2ba29d4a3384fbf9f	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 4-Amino-5-hydroxymethyl-2-methylpyrimidine 40V, Positive-QTOF	splash10-00lu-9000000000-cecde0be355431a2920b	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 4-Amino-5-hydroxymethyl-2-methylpyrimidine 10V, Negative-QTOF	splash10-000i-0900000000-cfc1d884f8ea3db6b6a6	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 4-Amino-5-hydroxymethyl-2-methylpyrimidine 20V, Negative-QTOF	splash10-006x-8900000000-bb08081d11c0ce993537	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 4-Amino-5-hydroxymethyl-2-methylpyrimidine 40V, Negative-QTOF	splash10-014l-9000000000-f27a78acaec6ce875983	2021-10-12	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Blood

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Biospecimen	Status	Value	Age	Sex	Condition	Reference	Details
Blood	Detected but not Quantified	Not Quantified	Not Specified	Not Specified	Normal	31557052	details

Abnormal Concentrations

Not Available

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

DB02022

Phenol Explorer Compound ID

Not Available

FooDB ID

KNApSAcK ID

Chemspider ID

KEGG Compound ID

BioCyc ID

BiGG ID

Not Available

Wikipedia Link

4-Amino-5-hydroxymethyl-2-methylpyrimidine

METLIN ID

Not Available

PubChem Compound

Not Available

PDB ID

Not Available

ChEBI ID

16892

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

rw1376481

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

Barupal DK, Fiehn O: Generating the Blood Exposome Database Using a Comprehensive Text Mining and Database Fusion Approach. Environ Health Perspect. 2019 Sep;127(9):97008. doi: 10.1289/EHP4713. Epub 2019 Sep 26. [PubMed:31557052 ]

Enzymes

Enzyme Details

1. Aminopyrimidine aminohydrolase

General function:: Not Available
Specific function:: Catalyzes an amino-pyrimidine hydrolysis reaction at the C5' of the pyrimidine moiety of thiamine compounds, a reaction that is part of a thiamine salvage pathway. Thus, catalyzes the conversion of 4-amino-5-aminomethyl-2-methylpyrimidine to 4-amino-5-hydroxymethyl-2-methylpyrimidine (HMP). Is also able to catalyze the hydrolytic cleavage of thiamine; however, this thiaminase activity may not be physiologically relevant. Therefore, is probably involved in the regeneration of the thiamine pyrimidine from thiamine degraded products present in the environment, rather than in thiamine degradation.
Gene Name:: TENA
Uniprot ID:: Q4L7X6
Molecular weight:: 26675.81

Enzyme Details

2. Aminopyrimidine aminohydrolase

General function:: Not Available
Specific function:: Catalyzes an amino-pyrimidine hydrolysis reaction at the C5' of the pyrimidine moiety of thiamine compounds to give a hydroxymethylpyrimidine (HMP). Displays low activity on 4-amino-5-aminomethyl-2-methylpyrimidine as substrate, indicating that the enzyme may act on a different HMP precursor that may derive from the human stomach food assumption or processing. Is probably involved in thiamine biosynthesis. Does not display thiaminase II activity, as it is unable to hydrolyze thiamine.
Gene Name:: TENA
Uniprot ID:: A8KRL3
Molecular weight:: 25012.31

Enzyme Details

3. Hydroxymethylpyrimidine/phosphomethylpyrimidine kinase

General function:: Not Available
Specific function:: Catalyzes the phosphorylation of hydroxymethylpyrimidine phosphate (HMP-P) to HMP-PP, and of HMP to HMP-P.
Gene Name:: THID
Uniprot ID:: Q9ZL00
Molecular weight:: 28768.17

Showing metabocard for 4-Amino-5-hydroxymethyl-2-methylpyrimidine (HMDB0247327)

MOL for HMDB0247327 (4-Amino-5-hydroxymethyl-2-methylpyrimidine)

3D MOL for HMDB0247327 (4-Amino-5-hydroxymethyl-2-methylpyrimidine)

3D SDF for HMDB0247327 (4-Amino-5-hydroxymethyl-2-methylpyrimidine)

3D-SDF for HMDB0247327 (4-Amino-5-hydroxymethyl-2-methylpyrimidine)

PDB for HMDB0247327 (4-Amino-5-hydroxymethyl-2-methylpyrimidine)

3D PDB for HMDB0247327 (4-Amino-5-hydroxymethyl-2-methylpyrimidine)

SMILES for HMDB0247327 (4-Amino-5-hydroxymethyl-2-methylpyrimidine)

INCHI for HMDB0247327 (4-Amino-5-hydroxymethyl-2-methylpyrimidine)

Structure for HMDB0247327 (4-Amino-5-hydroxymethyl-2-methylpyrimidine)

3D Structure for HMDB0247327 (4-Amino-5-hydroxymethyl-2-methylpyrimidine)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra

Enzymes