24K
Summary
| Name: | trans-4-{[2-(butylamino)-5-(pyridin-2-yl)pyrimidin-4-yl]amino}cyclohexanol |
| Formula: | C19 H27 N5 O |
| Formal charge: | 0 |
| Formula weight: | 341.451 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | trans-4-{[2-(butylamino)-5-(pyridin-2-yl)pyrimidin-4-yl]amino}cyclohexanol |
| OpenEye OEToolkits | 1.7.6 | 4-[[2-(butylamino)-5-pyridin-2-yl-pyrimidin-4-yl]amino]cyclohexan-1-ol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | n1c(c(cnc1NCCCC)c2ncccc2)NC3CCC(O)CC3 |
| InChI | InChI | 1.03 | InChI=1S/C19H27N5O/c1-2-3-11-21-19-22-13-16(17-6-4-5-12-20-17)18(24-19)23-14-7-9-15(25)10-8-14/h4-6,12-15,25H,2-3,7-11H2,1H3,(H2,21,22,23,24)/t14-,15- |
| InChIKey | InChI | 1.03 | DMDQOCLVSGUEJT-SHTZXODSSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCCNc1ncc(c(N[C@@H]2CC[C@@H](O)CC2)n1)c3ccccn3 |
| SMILES | CACTVS | 3.385 | CCCCNc1ncc(c(N[CH]2CC[CH](O)CC2)n1)c3ccccn3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CCCCNc1ncc(c(n1)NC2CCC(CC2)O)c3ccccn3 |
| SMILES | OpenEye OEToolkits | 1.7.6 | CCCCNc1ncc(c(n1)NC2CCC(CC2)O)c3ccccn3 |
