4-(4-methylphenyl)-2-(methylsulfanyl)-6-[(2-phenylethyl)amino]pyrimidine-5-carbonitrile
Chemical Structure Depiction of
4-(4-methylphenyl)-2-(methylsulfanyl)-6-[(2-phenylethyl)amino]pyrimidine-5-carbonitrile
4-(4-methylphenyl)-2-(methylsulfanyl)-6-[(2-phenylethyl)amino]pyrimidine-5-carbonitrile
Compound characteristics
| Compound ID: | D287-0113 |
| Compound Name: | 4-(4-methylphenyl)-2-(methylsulfanyl)-6-[(2-phenylethyl)amino]pyrimidine-5-carbonitrile |
| Molecular Weight: | 360.48 |
| Molecular Formula: | C21 H20 N4 S |
| Smiles: | Cc1ccc(cc1)c1c(C#N)c(NCCc2ccccc2)nc(n1)SC |
| Stereo: | ACHIRAL |
| logP: | 5.0827 |
| logD: | 5.0827 |
| logSw: | -5.068 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.803 |
| InChI Key: | AQYQIMFZYDAOTI-UHFFFAOYSA-N |