4-(4-chlorophenyl)-6-[(2-methylpropyl)amino]-2-(methylsulfanyl)pyrimidine-5-carbonitrile
Chemical Structure Depiction of
4-(4-chlorophenyl)-6-[(2-methylpropyl)amino]-2-(methylsulfanyl)pyrimidine-5-carbonitrile
4-(4-chlorophenyl)-6-[(2-methylpropyl)amino]-2-(methylsulfanyl)pyrimidine-5-carbonitrile
Compound characteristics
| Compound ID: | D490-0269 |
| Compound Name: | 4-(4-chlorophenyl)-6-[(2-methylpropyl)amino]-2-(methylsulfanyl)pyrimidine-5-carbonitrile |
| Molecular Weight: | 332.85 |
| Molecular Formula: | C16 H17 Cl N4 S |
| Smiles: | CC(C)CNc1c(C#N)c(c2ccc(cc2)[Cl])nc(n1)SC |
| Stereo: | ACHIRAL |
| logP: | 4.787 |
| logD: | 4.787 |
| logSw: | -5.1335 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.233 |
| InChI Key: | VLHLWKPWAUPZBX-UHFFFAOYSA-N |