4-(3-methoxyanilino)-2-(methylsulfanyl)-6-phenylpyrimidine-5-carbonitrile
Chemical Structure Depiction of
4-(3-methoxyanilino)-2-(methylsulfanyl)-6-phenylpyrimidine-5-carbonitrile
4-(3-methoxyanilino)-2-(methylsulfanyl)-6-phenylpyrimidine-5-carbonitrile
Compound characteristics
| Compound ID: | D287-0023 |
| Compound Name: | 4-(3-methoxyanilino)-2-(methylsulfanyl)-6-phenylpyrimidine-5-carbonitrile |
| Molecular Weight: | 348.42 |
| Molecular Formula: | C19 H16 N4 O S |
| Smiles: | COc1cccc(c1)Nc1c(C#N)c(c2ccccc2)nc(n1)SC |
| Stereo: | ACHIRAL |
| logP: | 4.6943 |
| logD: | 4.6943 |
| logSw: | -4.6571 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.183 |
| InChI Key: | OQHRYKQVCZKKNS-UHFFFAOYSA-N |