2-(methylsulfanyl)-4-phenyl-6-[4-(pyrrolidin-1-yl)anilino]pyrimidine-5-carbonitrile
Chemical Structure Depiction of
2-(methylsulfanyl)-4-phenyl-6-[4-(pyrrolidin-1-yl)anilino]pyrimidine-5-carbonitrile
2-(methylsulfanyl)-4-phenyl-6-[4-(pyrrolidin-1-yl)anilino]pyrimidine-5-carbonitrile
Compound characteristics
| Compound ID: | D490-0463 |
| Compound Name: | 2-(methylsulfanyl)-4-phenyl-6-[4-(pyrrolidin-1-yl)anilino]pyrimidine-5-carbonitrile |
| Molecular Weight: | 387.51 |
| Molecular Formula: | C22 H21 N5 S |
| Smiles: | CSc1nc(c2ccccc2)c(C#N)c(Nc2ccc(cc2)N2CCCC2)n1 |
| Stereo: | ACHIRAL |
| logP: | 5.385 |
| logD: | 5.3846 |
| logSw: | -5.6262 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.457 |
| InChI Key: | FRKBBESEMALKKX-UHFFFAOYSA-N |