2QB
5-(azidomethyl)-2-methylpyrimidin-4-amine
Created: | 2014-01-08 |
Last modified: | 2014-06-04 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 20 |
Chiral Atom Count | 0 |
Bond Count | 20 |
Aromatic Bond Count | 6 |
Chemical Component Summary | |
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Name | 5-(azidomethyl)-2-methylpyrimidin-4-amine |
Systematic Name (OpenEye OEToolkits) | 5-(azidomethyl)-2-methyl-pyrimidin-4-amine |
Formula | C6 H8 N6 |
Molecular Weight | 164.168 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | [N-]=[N+]=N/Cc1cnc(nc1N)C |
SMILES | CACTVS | 3.385 | Cc1ncc(CN=[N+]=[N-])c(N)n1 |
SMILES | OpenEye OEToolkits | 1.7.6 | Cc1ncc(c(n1)N)CN=[N+]=[N-] |
Canonical SMILES | CACTVS | 3.385 | Cc1ncc(CN=[N+]=[N-])c(N)n1 |
Canonical SMILES | OpenEye OEToolkits | 1.7.6 | Cc1ncc(c(n1)N)CN=[N+]=[N-] |
InChI | InChI | 1.03 | InChI=1S/C6H8N6/c1-4-9-2-5(3-10-12-8)6(7)11-4/h2H,3H2,1H3,(H2,7,9,11) |
InChIKey | InChI | 1.03 | HRZOZFYDZBEQQQ-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 71372702 |
CCDC/CSD | UGEBOZ |