2QB
Summary
Name: | 5-(azidomethyl)-2-methylpyrimidin-4-amine |
Formula: | C6 H8 N6 |
Formal charge: | 0 |
Formula weight: | 164.168 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 12.01 | 5-(azidomethyl)-2-methylpyrimidin-4-amine |
OpenEye OEToolkits | 1.7.6 | 5-(azidomethyl)-2-methyl-pyrimidin-4-amine |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | [N-]=[N+]=N/Cc1cnc(nc1N)C |
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 |
SMILES_CANONICAL | CACTVS | 3.385 | Cc1ncc(CN=[N+]=[N-])c(N)n1 |
SMILES | CACTVS | 3.385 | Cc1ncc(CN=[N+]=[N-])c(N)n1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | Cc1ncc(c(n1)N)CN=[N+]=[N-] |
SMILES | OpenEye OEToolkits | 1.7.6 | Cc1ncc(c(n1)N)CN=[N+]=[N-] |