2-(methylsulfanyl)-4-phenyl-6-[4-(propan-2-yl)anilino]pyrimidine-5-carbonitrile
Chemical Structure Depiction of
2-(methylsulfanyl)-4-phenyl-6-[4-(propan-2-yl)anilino]pyrimidine-5-carbonitrile
2-(methylsulfanyl)-4-phenyl-6-[4-(propan-2-yl)anilino]pyrimidine-5-carbonitrile
Compound characteristics
| Compound ID: | D490-0488 |
| Compound Name: | 2-(methylsulfanyl)-4-phenyl-6-[4-(propan-2-yl)anilino]pyrimidine-5-carbonitrile |
| Molecular Weight: | 360.48 |
| Molecular Formula: | C21 H20 N4 S |
| Smiles: | CC(C)c1ccc(cc1)Nc1c(C#N)c(c2ccccc2)nc(n1)SC |
| Stereo: | ACHIRAL |
| logP: | 5.9661 |
| logD: | 5.9661 |
| logSw: | -5.9847 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.639 |
| InChI Key: | OOXVJTOSMKXXMB-UHFFFAOYSA-N |