4-(4-methylphenyl)-2-(methylsulfanyl)-6-[(prop-2-en-1-yl)amino]pyrimidine-5-carbonitrile
Chemical Structure Depiction of
4-(4-methylphenyl)-2-(methylsulfanyl)-6-[(prop-2-en-1-yl)amino]pyrimidine-5-carbonitrile
4-(4-methylphenyl)-2-(methylsulfanyl)-6-[(prop-2-en-1-yl)amino]pyrimidine-5-carbonitrile
Compound characteristics
| Compound ID: | D490-0423 |
| Compound Name: | 4-(4-methylphenyl)-2-(methylsulfanyl)-6-[(prop-2-en-1-yl)amino]pyrimidine-5-carbonitrile |
| Molecular Weight: | 296.39 |
| Molecular Formula: | C16 H16 N4 S |
| Smiles: | Cc1ccc(cc1)c1c(C#N)c(NCC=C)nc(n1)SC |
| Stereo: | ACHIRAL |
| logP: | 3.86 |
| logD: | 3.86 |
| logSw: | -4.1955 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.074 |
| InChI Key: | QJZVBOSEUYUCCB-UHFFFAOYSA-N |