A1BNU
Summary
| Name: | N~4~-(2-aminoethyl)-N~4~-methylpyrimidine-2,4-diamine |
| Formula: | C7 H13 N5 |
| Formal charge: | 0 |
| Formula weight: | 167.212 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | N~4~-(2-aminoethyl)-N~4~-methylpyrimidine-2,4-diamine |
| OpenEye OEToolkits | 3.1.0.0 | ~{N}4-(2-azanylethyl)-~{N}4-methyl-pyrimidine-2,4-diamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | CN(CCN)c1ccnc(N)n1 |
| InChI | InChI | 1.06 | InChI=1S/C7H13N5/c1-12(5-3-8)6-2-4-10-7(9)11-6/h2,4H,3,5,8H2,1H3,(H2,9,10,11) |
| InChIKey | InChI | 1.06 | YHRLGNNOULBZCH-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN(CCN)c1ccnc(N)n1 |
| SMILES | CACTVS | 3.385 | CN(CCN)c1ccnc(N)n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | CN(CCN)c1ccnc(n1)N |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CN(CCN)c1ccnc(n1)N |
