2-[(4,6-dimethylpyrimidin-2-yl)amino]-6-oxo-3-[3-(trifluoromethyl)phenyl]-3,4,5,6-tetrahydropyrimidine-4-carboxylic acid
Chemical Structure Depiction of
2-[(4,6-dimethylpyrimidin-2-yl)amino]-6-oxo-3-[3-(trifluoromethyl)phenyl]-3,4,5,6-tetrahydropyrimidine-4-carboxylic acid
2-[(4,6-dimethylpyrimidin-2-yl)amino]-6-oxo-3-[3-(trifluoromethyl)phenyl]-3,4,5,6-tetrahydropyrimidine-4-carboxylic acid
Compound characteristics
| Compound ID: | D718-0037 |
| Compound Name: | 2-[(4,6-dimethylpyrimidin-2-yl)amino]-6-oxo-3-[3-(trifluoromethyl)phenyl]-3,4,5,6-tetrahydropyrimidine-4-carboxylic acid |
| Molecular Weight: | 407.35 |
| Molecular Formula: | C18 H16 F3 N5 O3 |
| Smiles: | Cc1cc(C)nc(NC2=NC(CC(C(O)=O)N2c2cccc(c2)C(F)(F)F)=O)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.6671 |
| logD: | 1.6671 |
| logSw: | -2.1477 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.096 |
| InChI Key: | JOKLUINWQXDZLH-ZDUSSCGKSA-N |