8VD
概要
| 表記: | N-(piperidin-4-yl)-6-(trifluoromethyl)pyrimidin-4-amine |
| 組成式: | C10 H13 F3 N4 |
| 電荷: | 0 |
| 化学式量: | 246.232 Da |
| 分子種別: | non-polymer |
化合物名
| プログラム | バージョン | 表記 |
| ACDLabs | 12.01 | N-(piperidin-4-yl)-6-(trifluoromethyl)pyrimidin-4-amine |
| OpenEye OEToolkits | 2.0.7 | ~{N}-piperidin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine |
化合物記述子（線形表記）
| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | FC(F)(F)c1cc(ncn1)NC1CCNCC1 |
| InChI | InChI | 1.03 | InChI=1S/C10H13F3N4/c11-10(12,13)8-5-9(16-6-15-8)17-7-1-3-14-4-2-7/h5-7,14H,1-4H2,(H,15,16,17) |
| InChIKey | InChI | 1.03 | GRSDOXXGQOHABE-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | FC(F)(F)c1cc(NC2CCNCC2)ncn1 |
| SMILES | CACTVS | 3.385 | FC(F)(F)c1cc(NC2CCNCC2)ncn1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1c(ncnc1NC2CCNCC2)C(F)(F)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1c(ncnc1NC2CCNCC2)C(F)(F)F |
