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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-11 19:46:51 UTC
Update Date2022-03-07 02:54:15 UTC
HMDB IDHMDB0034853
Secondary Accession Numbers
  • HMDB34853
Metabolite Identification
Common NameCyprodinil
DescriptionCyprodinil, also known as HSDB 7019, belongs to the class of organic compounds known as aniline and substituted anilines. These are organic compounds containing an aminobenzene moiety. Based on a literature review a significant number of articles have been published on Cyprodinil.
Structure
Thumb
Synonyms
ValueSource
2-Anilino-4-cyclopropyl-6-methylpyrimidineChEBI
4-Cyclopropyl-6-methyl-N-phenyl-2-pyrimidinamineChEBI
HSDB 7019ChEBI
4-Cyclopropyl-6-methyl-N-phenyl-2-pyrimidinamine, 9ciHMDB
4-Cyclopropyl-6-methyl-N-phenylpyrimidin-2-amineHMDB
CGA 219417HMDB
ChorusHMDB
UnixHMDB
Chemical FormulaC14H15N3
Average Molecular Weight225.289
Monoisotopic Molecular Weight225.126597495
IUPAC Name4-cyclopropyl-6-methyl-N-phenylpyrimidin-2-amine
Traditional Namecyprodinil
CAS Registry Number121552-61-2
SMILES
CC1=CC(=NC(NC2=CC=CC=C2)=N1)C1CC1
InChI Identifier
InChI=1S/C14H15N3/c1-10-9-13(11-7-8-11)17-14(15-10)16-12-5-3-2-4-6-12/h2-6,9,11H,7-8H2,1H3,(H,15,16,17)
InChI KeyHAORKNGNJCEJBX-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as aniline and substituted anilines. These are organic compounds containing an aminobenzene moiety.
KingdomOrganic compounds
Super ClassBenzenoids
ClassBenzene and substituted derivatives
Sub ClassAniline and substituted anilines
Direct ParentAniline and substituted anilines
Alternative Parents
Substituents
  • Aniline or substituted anilines
  • Aminopyrimidine
  • Pyrimidine
  • Heteroaromatic compound
  • Azacycle
  • Organoheterocyclic compound
  • Secondary amine
  • Organic nitrogen compound
  • Organopnictogen compound
  • Hydrocarbon derivative
  • Organonitrogen compound
  • Amine
  • Aromatic heteromonocyclic compound
Molecular FrameworkAromatic heteromonocyclic compounds
External Descriptors
Ontology
Physiological effectNot Available
Disposition
ProcessNot Available
Role
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting Point76 °CNot Available
Boiling Point405.99 °C. @ 760.00 mm Hg (est)The Good Scents Company Information System
Water Solubility0.013 mg/mL at 25 °CNot Available
LogP4.00Not Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
Predicted Chromatographic Properties
Spectra
Biological Properties
Cellular Locations
  • Membrane
Biospecimen LocationsNot Available
Tissue LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB013419
KNApSAcK IDNot Available
Chemspider ID77885
KEGG Compound IDC10914
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound86367
PDB IDNot Available
ChEBI ID4045
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDrw1664201
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .