A1BML
Summary
| Name: | 2-(piperazin-1-yl)-4-(trifluoromethyl)pyrimidine |
| Formula: | C9 H11 F3 N4 |
| Formal charge: | 0 |
| Formula weight: | 232.206 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | 2-(piperazin-1-yl)-4-(trifluoromethyl)pyrimidine |
| OpenEye OEToolkits | 3.1.0.0 | 2-piperazin-1-yl-4-(trifluoromethyl)pyrimidine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | FC(F)(F)c1nc(ncc1)N1CCNCC1 |
| InChI | InChI | 1.06 | InChI=1S/C9H11F3N4/c10-9(11,12)7-1-2-14-8(15-7)16-5-3-13-4-6-16/h1-2,13H,3-6H2 |
| InChIKey | InChI | 1.06 | WBJVPAABGFBMJQ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | FC(F)(F)c1ccnc(n1)N2CCNCC2 |
| SMILES | CACTVS | 3.385 | FC(F)(F)c1ccnc(n1)N2CCNCC2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1cnc(nc1C(F)(F)F)N2CCNCC2 |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1cnc(nc1C(F)(F)F)N2CCNCC2 |
