4-[(1-hydroxybutan-2-yl)amino]-6-(4-methylphenyl)-2-(methylsulfanyl)pyrimidine-5-carbonitrile
Chemical Structure Depiction of
4-[(1-hydroxybutan-2-yl)amino]-6-(4-methylphenyl)-2-(methylsulfanyl)pyrimidine-5-carbonitrile
4-[(1-hydroxybutan-2-yl)amino]-6-(4-methylphenyl)-2-(methylsulfanyl)pyrimidine-5-carbonitrile
Compound characteristics
| Compound ID: | D490-0404 |
| Compound Name: | 4-[(1-hydroxybutan-2-yl)amino]-6-(4-methylphenyl)-2-(methylsulfanyl)pyrimidine-5-carbonitrile |
| Molecular Weight: | 328.43 |
| Molecular Formula: | C17 H20 N4 O S |
| Smiles: | CCC(CO)Nc1c(C#N)c(c2ccc(C)cc2)nc(n1)SC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8279 |
| logD: | 3.8279 |
| logSw: | -4.1862 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.256 |
| InChI Key: | OFNJJWGJBBSQGS-ZDUSSCGKSA-N |