CJL
Summary
| Name: | N4-cyclopropyl-6-[4-(oxetan-3-yl)piperazin-1-yl]pyrimidine-2,4-diamine |
| Formula: | C14 H22 N6 O |
| Formal charge: | 0 |
| Formula weight: | 290.364 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | ~{N}4-cyclopropyl-6-[4-(oxetan-3-yl)piperazin-1-yl]pyrimidine-2,4-diamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C14H22N6O/c15-14-17-12(16-10-1-2-10)7-13(18-14)20-5-3-19(4-6-20)11-8-21-9-11/h7,10-11H,1-6,8-9H2,(H3,15,16,17,18) |
| InChIKey | InChI | 1.03 | ZGLBWQVKOMHGIB-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1nc(NC2CC2)cc(n1)N3CCN(CC3)C4COC4 |
| SMILES | CACTVS | 3.385 | Nc1nc(NC2CC2)cc(n1)N3CCN(CC3)C4COC4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1c(nc(nc1N2CCN(CC2)C3COC3)N)NC4CC4 |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1c(nc(nc1N2CCN(CC2)C3COC3)N)NC4CC4 |
