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-] |
