4-(4-chlorophenyl)-6-[(1-hydroxybutan-2-yl)amino]-2-(methylsulfanyl)pyrimidine-5-carbonitrile
Chemical Structure Depiction of
4-(4-chlorophenyl)-6-[(1-hydroxybutan-2-yl)amino]-2-(methylsulfanyl)pyrimidine-5-carbonitrile
4-(4-chlorophenyl)-6-[(1-hydroxybutan-2-yl)amino]-2-(methylsulfanyl)pyrimidine-5-carbonitrile
Compound characteristics
| Compound ID: | D490-0326 |
| Compound Name: | 4-(4-chlorophenyl)-6-[(1-hydroxybutan-2-yl)amino]-2-(methylsulfanyl)pyrimidine-5-carbonitrile |
| Molecular Weight: | 348.85 |
| Molecular Formula: | C16 H17 Cl N4 O S |
| Smiles: | CCC(CO)Nc1c(C#N)c(c2ccc(cc2)[Cl])nc(n1)SC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9992 |
| logD: | 3.9992 |
| logSw: | -4.7385 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.256 |
| InChI Key: | UKVBEQNVGZOZJQ-LBPRGKRZSA-N |