4-{[2-(cyclohex-1-en-1-yl)ethyl]amino}-2-(methylsulfanyl)-6-phenylpyrimidine-5-carbonitrile
Chemical Structure Depiction of
4-{[2-(cyclohex-1-en-1-yl)ethyl]amino}-2-(methylsulfanyl)-6-phenylpyrimidine-5-carbonitrile
4-{[2-(cyclohex-1-en-1-yl)ethyl]amino}-2-(methylsulfanyl)-6-phenylpyrimidine-5-carbonitrile
Compound characteristics
| Compound ID: | D490-0445 |
| Compound Name: | 4-{[2-(cyclohex-1-en-1-yl)ethyl]amino}-2-(methylsulfanyl)-6-phenylpyrimidine-5-carbonitrile |
| Molecular Weight: | 350.48 |
| Molecular Formula: | C20 H22 N4 S |
| Smiles: | CSc1nc(c2ccccc2)c(C#N)c(NCCC2CCCCC=2)n1 |
| Stereo: | ACHIRAL |
| logP: | 4.9247 |
| logD: | 4.9247 |
| logSw: | -4.6732 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.995 |
| InChI Key: | IIQOTTDALKLMRF-UHFFFAOYSA-N |