4-(3,4-dimethoxyanilino)-6-(4-methylphenyl)-2-(methylsulfanyl)pyrimidine-5-carbonitrile
Chemical Structure Depiction of
4-(3,4-dimethoxyanilino)-6-(4-methylphenyl)-2-(methylsulfanyl)pyrimidine-5-carbonitrile
4-(3,4-dimethoxyanilino)-6-(4-methylphenyl)-2-(methylsulfanyl)pyrimidine-5-carbonitrile
Compound characteristics
| Compound ID: | D287-0079 |
| Compound Name: | 4-(3,4-dimethoxyanilino)-6-(4-methylphenyl)-2-(methylsulfanyl)pyrimidine-5-carbonitrile |
| Molecular Weight: | 392.48 |
| Molecular Formula: | C21 H20 N4 O2 S |
| Smiles: | Cc1ccc(cc1)c1c(C#N)c(Nc2ccc(c(c2)OC)OC)nc(n1)SC |
| Stereo: | ACHIRAL |
| logP: | 4.6912 |
| logD: | 4.6912 |
| logSw: | -4.6268 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.9 |
| InChI Key: | AXOJIPZFIFAKSG-UHFFFAOYSA-N |