4-(4-chlorophenyl)-2-(methylsulfanyl)-6-{[(oxolan-2-yl)methyl]amino}pyrimidine-5-carbonitrile
Chemical Structure Depiction of
4-(4-chlorophenyl)-2-(methylsulfanyl)-6-{[(oxolan-2-yl)methyl]amino}pyrimidine-5-carbonitrile
4-(4-chlorophenyl)-2-(methylsulfanyl)-6-{[(oxolan-2-yl)methyl]amino}pyrimidine-5-carbonitrile
Compound characteristics
| Compound ID: | D490-0347 |
| Compound Name: | 4-(4-chlorophenyl)-2-(methylsulfanyl)-6-{[(oxolan-2-yl)methyl]amino}pyrimidine-5-carbonitrile |
| Molecular Weight: | 360.86 |
| Molecular Formula: | C17 H17 Cl N4 O S |
| Smiles: | CSc1nc(c2ccc(cc2)[Cl])c(C#N)c(NCC2CCCO2)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7523 |
| logD: | 3.7523 |
| logSw: | -4.8415 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.615 |
| InChI Key: | SMPJXEWHZIIVCU-CYBMUJFWSA-N |