4-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-(methylsulfanyl)-6-phenylpyrimidine-5-carbonitrile
Chemical Structure Depiction of
4-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-(methylsulfanyl)-6-phenylpyrimidine-5-carbonitrile
4-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-(methylsulfanyl)-6-phenylpyrimidine-5-carbonitrile
Compound characteristics
| Compound ID: | D624-0006 |
| Compound Name: | 4-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-(methylsulfanyl)-6-phenylpyrimidine-5-carbonitrile |
| Molecular Weight: | 406.51 |
| Molecular Formula: | C22 H22 N4 O2 S |
| Smiles: | COc1ccc(CCNc2c(C#N)c(c3ccccc3)nc(n2)SC)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 4.0713 |
| logD: | 4.0713 |
| logSw: | -4.3624 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.063 |
| InChI Key: | AHMKWQCBMZFOJP-UHFFFAOYSA-N |