4-(4-tert-butylphenyl)-6-{[2-(cyclohex-1-en-1-yl)ethyl]amino}-2-(methylsulfanyl)pyrimidine-5-carbonitrile
Chemical Structure Depiction of
4-(4-tert-butylphenyl)-6-{[2-(cyclohex-1-en-1-yl)ethyl]amino}-2-(methylsulfanyl)pyrimidine-5-carbonitrile
4-(4-tert-butylphenyl)-6-{[2-(cyclohex-1-en-1-yl)ethyl]amino}-2-(methylsulfanyl)pyrimidine-5-carbonitrile
Compound characteristics
| Compound ID: | D490-0072 |
| Compound Name: | 4-(4-tert-butylphenyl)-6-{[2-(cyclohex-1-en-1-yl)ethyl]amino}-2-(methylsulfanyl)pyrimidine-5-carbonitrile |
| Molecular Weight: | 406.59 |
| Molecular Formula: | C24 H30 N4 S |
| Smiles: | CC(C)(C)c1ccc(cc1)c1c(C#N)c(NCCC2CCCCC=2)nc(n1)SC |
| Stereo: | ACHIRAL |
| logP: | 6.8242 |
| logD: | 6.8242 |
| logSw: | -5.9135 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.995 |
| InChI Key: | PXRQESOABXUIBI-UHFFFAOYSA-N |