4-(4-chlorophenyl)-2-(methylsulfanyl)-6-[(prop-2-en-1-yl)amino]pyrimidine-5-carbonitrile
Chemical Structure Depiction of
4-(4-chlorophenyl)-2-(methylsulfanyl)-6-[(prop-2-en-1-yl)amino]pyrimidine-5-carbonitrile
4-(4-chlorophenyl)-2-(methylsulfanyl)-6-[(prop-2-en-1-yl)amino]pyrimidine-5-carbonitrile
Compound characteristics
| Compound ID: | D490-0346 |
| Compound Name: | 4-(4-chlorophenyl)-2-(methylsulfanyl)-6-[(prop-2-en-1-yl)amino]pyrimidine-5-carbonitrile |
| Molecular Weight: | 316.81 |
| Molecular Formula: | C15 H13 Cl N4 S |
| Smiles: | CSc1nc(c2ccc(cc2)[Cl])c(C#N)c(NCC=C)n1 |
| Stereo: | ACHIRAL |
| logP: | 4.0314 |
| logD: | 4.0314 |
| logSw: | -4.8181 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.074 |
| InChI Key: | VIRLGOANWPNOER-UHFFFAOYSA-N |