A1EBW
Summary
| Name: | Adriforant |
| Synonyms: | 4-N-(cyclopropylmethyl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidine-2,4-diamine |
| Formula: | C13 H22 N6 |
| Formal charge: | 0 |
| Formula weight: | 262.354 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}4-(cyclopropylmethyl)-6-[(3~{R})-3-(methylamino)pyrrolidin-1-yl]pyrimidine-2,4-diamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C13H22N6/c1-15-10-4-5-19(8-10)12-6-11(17-13(14)18-12)16-7-9-2-3-9/h6,9-10,15H,2-5,7-8H2,1H3,(H3,14,16,17,18)/t10-/m1/s1 |
| InChIKey | InChI | 1.06 | ISBHYKVAFKTATD-SNVBAGLBSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN[C@@H]1CCN(C1)c2cc(NCC3CC3)nc(N)n2 |
| SMILES | CACTVS | 3.385 | CN[CH]1CCN(C1)c2cc(NCC3CC3)nc(N)n2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN[C@@H]1CCN(C1)c2cc(nc(n2)N)NCC3CC3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CNC1CCN(C1)c2cc(nc(n2)N)NCC3CC3 |
