Record Information |
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Version | 5.0 |
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Status | Expected but not Quantified |
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Creation Date | 2012-09-11 17:32:23 UTC |
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Update Date | 2023-02-21 17:19:13 UTC |
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HMDB ID | HMDB0029749 |
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Secondary Accession Numbers | |
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Metabolite Identification |
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Common Name | 2-Amino-6-methyldipyrido[1,2-a:3',2'-d]imidazole |
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Description | 2-Amino-6-methyldipyrido[1,2-a:3',2'-d]imidazole, also known as 6-me-glu-p-2 or 6-methylimidazo[1,2-a:5,4-b']dipyridin-2-amine, belongs to the class of organic compounds known as imidazopyridines. These are organic polycyclic compounds containing an imidazole ring fused to a pyridine ring. Imidazole is 5-membered ring consisting of three carbon atoms, and two nitrogen centers at the 1- and 3-positions. Pyridine is a 6-membered ring consisting of five carbon atoms and one nitrogen center. 2-Amino-6-methyldipyrido[1,2-a:3',2'-d]imidazole is a very strong basic compound (based on its pKa). 2-Amino-6-methyldipyridoimidazole is a powerful mutagen presumed present in cooked food. 2-Amino-6-methyldipyrido[1,2-a:3',2'-d]imidazole is a potentially toxic compound. |
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Structure | CC1=CC=CN2C3=C(C=CC(=N)N3)N=C12 InChI=1S/C11H10N4/c1-7-3-2-6-15-10(7)13-8-4-5-9(12)14-11(8)15/h2-6H,1H3,(H2,12,14) |
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Synonyms | Value | Source |
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2-Amino-6-methyldipyrid[1,2-a:3',2'-D]imidazole | Kegg | 2-Amino-6-methyl-dipyrido(1,2-a:3',2'-D)imidazole | HMDB | 2-Amino-6-methyldipyrido(1,2-a-3',2'-D)imidazole | HMDB | 2-Amino-6-methyldipyrido(1,2-a:3',2'-D)imidazole | HMDB | 2-Amino-6-methyldipyridol(1,2-a:3',2'-D)imidazole | HMDB | 6-Me-glu-p-2 | HMDB | 6-Methyl-dipyrido(1,2-a:3',2'-D)imidazol-2-amine | HMDB | 6-Methyldipyrido(1,2-a:3',2'-D)imidazol-2-amine | HMDB | 6-Methyldipyrido[1,2-a:3',2'-D]imidazol-2-amine, 9ci | HMDB | 6-Methylimidazo[1,2-a:5,4-b']dipyridin-2-amine | HMDB | 6-Methylpyrido[3',2':4,5]imidazo[1,2-a]pyridin-2-amine | HMDB | Glu p-1 | HMDB | Glu-p-1 | HMDB |
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Chemical Formula | C11H10N4 |
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Average Molecular Weight | 198.2239 |
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Monoisotopic Molecular Weight | 198.09054634 |
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IUPAC Name | 10-methyl-1,3,8-triazatricyclo[7.4.0.0²,⁷]trideca-2(7),5,8,10,12-pentaen-4-imine |
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Traditional Name | 10-methyl-1,3,8-triazatricyclo[7.4.0.0²,⁷]trideca-2(7),5,8,10,12-pentaen-4-imine |
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CAS Registry Number | 67730-11-4 |
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SMILES | CC1=CC=CN2C3=C(C=CC(=N)N3)N=C12 |
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InChI Identifier | InChI=1S/C11H10N4/c1-7-3-2-6-15-10(7)13-8-4-5-9(12)14-11(8)15/h2-6H,1H3,(H2,12,14) |
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InChI Key | AYLURHVFAYRSHT-UHFFFAOYSA-N |
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Chemical Taxonomy |
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Description | Belongs to the class of organic compounds known as imidazopyridines. These are organic polycyclic compounds containing an imidazole ring fused to a pyridine ring. Imidazole is 5-membered ring consisting of three carbon atoms, and two nitrogen centers at the 1- and 3-positions. Pyridine is a 6-membered ring consisting of five carbon atoms and one nitrogen center. |
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Kingdom | Organic compounds |
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Super Class | Organoheterocyclic compounds |
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Class | Imidazopyridines |
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Sub Class | Not Available |
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Direct Parent | Imidazopyridines |
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Alternative Parents | |
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Substituents | - Imidazopyridine
- Imidazo[1,2-a]pyridine
- Aminopyridine
- Methylpyridine
- N-substituted imidazole
- Pyridine
- Imidolactam
- Azole
- Imidazole
- Heteroaromatic compound
- Azacycle
- Organonitrogen compound
- Hydrocarbon derivative
- Organopnictogen compound
- Organic nitrogen compound
- Amine
- Primary amine
- Aromatic heteropolycyclic compound
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Molecular Framework | Aromatic heteropolycyclic compounds |
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External Descriptors | |
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Ontology |
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Physiological effect | Not Available |
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Disposition | |
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Process | Not Available |
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Role | Not Available |
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Physical Properties |
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State | Not Available |
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Experimental Molecular Properties | Property | Value | Reference |
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Melting Point | Not Available | Not Available | Boiling Point | Not Available | Not Available | Water Solubility | Not Available | Not Available | LogP | 1.75 | Not Available |
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Experimental Chromatographic Properties | Not Available |
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Predicted Molecular Properties | |
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Predicted Chromatographic Properties | Predicted Collision Cross SectionsPredicted Kovats Retention IndicesUnderivatizedDerivatizedDerivative Name / Structure | SMILES | Kovats RI Value | Column Type | Reference |
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2-Amino-6-methyldipyrido[1,2-a:3',2'-d]imidazole,1TMS,isomer #1 | CC1=CC=CN2C1=NC1=C2[NH]C(=N[Si](C)(C)C)C=C1 | 2315.7 | Semi standard non polar | 33892256 | 2-Amino-6-methyldipyrido[1,2-a:3',2'-d]imidazole,1TMS,isomer #1 | CC1=CC=CN2C1=NC1=C2[NH]C(=N[Si](C)(C)C)C=C1 | 2211.4 | Standard non polar | 33892256 | 2-Amino-6-methyldipyrido[1,2-a:3',2'-d]imidazole,1TMS,isomer #2 | CC1=CC=CN2C1=NC1=C2N([Si](C)(C)C)C(=N)C=C1 | 2427.2 | Semi standard non polar | 33892256 | 2-Amino-6-methyldipyrido[1,2-a:3',2'-d]imidazole,1TMS,isomer #2 | CC1=CC=CN2C1=NC1=C2N([Si](C)(C)C)C(=N)C=C1 | 2222.0 | Standard non polar | 33892256 | 2-Amino-6-methyldipyrido[1,2-a:3',2'-d]imidazole,2TMS,isomer #1 | CC1=CC=CN2C1=NC1=C2N([Si](C)(C)C)C(=N[Si](C)(C)C)C=C1 | 2342.3 | Semi standard non polar | 33892256 | 2-Amino-6-methyldipyrido[1,2-a:3',2'-d]imidazole,2TMS,isomer #1 | CC1=CC=CN2C1=NC1=C2N([Si](C)(C)C)C(=N[Si](C)(C)C)C=C1 | 2325.8 | Standard non polar | 33892256 | 2-Amino-6-methyldipyrido[1,2-a:3',2'-d]imidazole,1TBDMS,isomer #1 | CC1=CC=CN2C1=NC1=C2[NH]C(=N[Si](C)(C)C(C)(C)C)C=C1 | 2554.2 | Semi standard non polar | 33892256 | 2-Amino-6-methyldipyrido[1,2-a:3',2'-d]imidazole,1TBDMS,isomer #1 | CC1=CC=CN2C1=NC1=C2[NH]C(=N[Si](C)(C)C(C)(C)C)C=C1 | 2402.3 | Standard non polar | 33892256 | 2-Amino-6-methyldipyrido[1,2-a:3',2'-d]imidazole,1TBDMS,isomer #2 | CC1=CC=CN2C1=NC1=C2N([Si](C)(C)C(C)(C)C)C(=N)C=C1 | 2569.1 | Semi standard non polar | 33892256 | 2-Amino-6-methyldipyrido[1,2-a:3',2'-d]imidazole,1TBDMS,isomer #2 | CC1=CC=CN2C1=NC1=C2N([Si](C)(C)C(C)(C)C)C(=N)C=C1 | 2398.0 | Standard non polar | 33892256 | 2-Amino-6-methyldipyrido[1,2-a:3',2'-d]imidazole,2TBDMS,isomer #1 | CC1=CC=CN2C1=NC1=C2N([Si](C)(C)C(C)(C)C)C(=N[Si](C)(C)C(C)(C)C)C=C1 | 2733.0 | Semi standard non polar | 33892256 | 2-Amino-6-methyldipyrido[1,2-a:3',2'-d]imidazole,2TBDMS,isomer #1 | CC1=CC=CN2C1=NC1=C2N([Si](C)(C)C(C)(C)C)C(=N[Si](C)(C)C(C)(C)C)C=C1 | 2695.5 | Standard non polar | 33892256 |
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| GC-MS SpectraSpectrum Type | Description | Splash Key | Deposition Date | Source | View |
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Experimental GC-MS | GC-MS Spectrum - 2-Amino-6-methyldipyrido[1,2-a:3',2'-d]imidazole EI-B (Non-derivatized) | splash10-0002-7900000000-8a290d77c5087038c1f8 | 2017-09-12 | HMDB team, MONA, MassBank | View Spectrum | Experimental GC-MS | GC-MS Spectrum - 2-Amino-6-methyldipyrido[1,2-a:3',2'-d]imidazole EI-B (Non-derivatized) | splash10-0002-7900000000-8a290d77c5087038c1f8 | 2018-05-18 | HMDB team, MONA, MassBank | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 2-Amino-6-methyldipyrido[1,2-a:3',2'-d]imidazole GC-MS (Non-derivatized) - 70eV, Positive | splash10-006w-2900000000-d5430f841c3c788a9b27 | 2017-09-01 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 2-Amino-6-methyldipyrido[1,2-a:3',2'-d]imidazole GC-MS (Non-derivatized) - 70eV, Positive | Not Available | 2021-10-12 | Wishart Lab | View Spectrum |
MS/MS SpectraSpectrum Type | Description | Splash Key | Deposition Date | Source | View |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 2-Amino-6-methyldipyrido[1,2-a:3',2'-d]imidazole 10V, Positive-QTOF | splash10-0002-0900000000-70267db2d6010ca5fb33 | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 2-Amino-6-methyldipyrido[1,2-a:3',2'-d]imidazole 20V, Positive-QTOF | splash10-0002-0900000000-fddf0ed21c86b8cb1bf8 | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 2-Amino-6-methyldipyrido[1,2-a:3',2'-d]imidazole 40V, Positive-QTOF | splash10-00lr-3900000000-c09a00f359c30b4d20af | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 2-Amino-6-methyldipyrido[1,2-a:3',2'-d]imidazole 10V, Negative-QTOF | splash10-0002-0900000000-3d2fd63e5de0725be2e0 | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 2-Amino-6-methyldipyrido[1,2-a:3',2'-d]imidazole 20V, Negative-QTOF | splash10-0002-0900000000-7705d1b2af7f6f13a0ff | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 2-Amino-6-methyldipyrido[1,2-a:3',2'-d]imidazole 40V, Negative-QTOF | splash10-05gj-0900000000-82ef970cd82b7f22dfec | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 2-Amino-6-methyldipyrido[1,2-a:3',2'-d]imidazole 10V, Positive-QTOF | splash10-0002-0900000000-05c168967d43c2ecbb41 | 2021-09-23 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 2-Amino-6-methyldipyrido[1,2-a:3',2'-d]imidazole 20V, Positive-QTOF | splash10-0002-0900000000-05c168967d43c2ecbb41 | 2021-09-23 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 2-Amino-6-methyldipyrido[1,2-a:3',2'-d]imidazole 40V, Positive-QTOF | splash10-053v-4900000000-a659168315f7413aad5b | 2021-09-23 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 2-Amino-6-methyldipyrido[1,2-a:3',2'-d]imidazole 10V, Negative-QTOF | splash10-0002-0900000000-a0a4a639604076f03ed6 | 2021-09-25 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 2-Amino-6-methyldipyrido[1,2-a:3',2'-d]imidazole 20V, Negative-QTOF | splash10-0002-0900000000-a0a4a639604076f03ed6 | 2021-09-25 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 2-Amino-6-methyldipyrido[1,2-a:3',2'-d]imidazole 40V, Negative-QTOF | splash10-007k-0900000000-a872d644c2747020836c | 2021-09-25 | Wishart Lab | View Spectrum |
IR SpectraSpectrum Type | Description | Deposition Date | Source | View |
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Predicted IR Spectrum | IR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M-H]-) | 2023-02-03 | FELIX lab | View Spectrum | Predicted IR Spectrum | IR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M+H]+) | 2023-02-03 | FELIX lab | View Spectrum | Predicted IR Spectrum | IR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M+Na]+) | 2023-02-03 | FELIX lab | View Spectrum |
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