N-[5-cyano-6-(4-methylphenyl)-2-(methylsulfanyl)pyrimidin-4-yl]alanine
Chemical Structure Depiction of
N-[5-cyano-6-(4-methylphenyl)-2-(methylsulfanyl)pyrimidin-4-yl]alanine
N-[5-cyano-6-(4-methylphenyl)-2-(methylsulfanyl)pyrimidin-4-yl]alanine
Compound characteristics
| Compound ID: | D490-0412 |
| Compound Name: | N-[5-cyano-6-(4-methylphenyl)-2-(methylsulfanyl)pyrimidin-4-yl]alanine |
| Molecular Weight: | 328.39 |
| Molecular Formula: | C16 H16 N4 O2 S |
| Smiles: | CC(C(O)=O)Nc1c(C#N)c(c2ccc(C)cc2)nc(n1)SC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.563 |
| logD: | -1.0179 |
| logSw: | -2.8373 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.804 |
| InChI Key: | ZRWVFTVYDCLQDG-JTQLQIEISA-N |