4-(4-chlorophenyl)-2-(methylsulfanyl)-6-[4-(pyrrolidin-1-yl)anilino]pyrimidine-5-carbonitrile
Chemical Structure Depiction of
4-(4-chlorophenyl)-2-(methylsulfanyl)-6-[4-(pyrrolidin-1-yl)anilino]pyrimidine-5-carbonitrile
4-(4-chlorophenyl)-2-(methylsulfanyl)-6-[4-(pyrrolidin-1-yl)anilino]pyrimidine-5-carbonitrile
Compound characteristics
| Compound ID: | D490-0330 |
| Compound Name: | 4-(4-chlorophenyl)-2-(methylsulfanyl)-6-[4-(pyrrolidin-1-yl)anilino]pyrimidine-5-carbonitrile |
| Molecular Weight: | 421.95 |
| Molecular Formula: | C22 H20 Cl N5 S |
| Smiles: | CSc1nc(c2ccc(cc2)[Cl])c(C#N)c(Nc2ccc(cc2)N2CCCC2)n1 |
| Stereo: | ACHIRAL |
| logP: | 6.0848 |
| logD: | 6.0844 |
| logSw: | -6.5419 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.457 |
| InChI Key: | SMCYGVFLJGFXIK-UHFFFAOYSA-N |