A1B92
Summary
| Name: | Rimtuzalcap |
| Synonyms: | N-(4,4-difluorocyclohexyl)-2-(3-methyl-1H-pyrazol-1-yl)-6-(morpholin-4-yl)pyrimidin-4-amine |
| Formula: | C18 H24 F2 N6 O |
| Formal charge: | 0 |
| Formula weight: | 378.42 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | N-(4,4-difluorocyclohexyl)-2-(3-methyl-1H-pyrazol-1-yl)-6-(morpholin-4-yl)pyrimidin-4-amine |
| OpenEye OEToolkits | 3.1.0.0 | ~{N}-[4,4-bis(fluoranyl)cyclohexyl]-2-(3-methylpyrazol-1-yl)-6-morpholin-4-yl-pyrimidin-4-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | FC1(F)CCC(CC1)Nc1cc(nc(n1)n1ccc(C)n1)N1CCOCC1 |
| InChI | InChI | 1.06 | InChI=1S/C18H24F2N6O/c1-13-4-7-26(24-13)17-22-15(21-14-2-5-18(19,20)6-3-14)12-16(23-17)25-8-10-27-11-9-25/h4,7,12,14H,2-3,5-6,8-11H2,1H3,(H,21,22,23) |
| InChIKey | InChI | 1.06 | OVLIDRAJVMUEMC-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccn(n1)c2nc(NC3CCC(F)(F)CC3)cc(n2)N4CCOCC4 |
| SMILES | CACTVS | 3.385 | Cc1ccn(n1)c2nc(NC3CCC(F)(F)CC3)cc(n2)N4CCOCC4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | Cc1ccn(n1)c2nc(cc(n2)N3CCOCC3)NC4CCC(CC4)(F)F |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | Cc1ccn(n1)c2nc(cc(n2)N3CCOCC3)NC4CCC(CC4)(F)F |
