4-(4-tert-butylphenyl)-6-{[2-(dimethylamino)ethyl]amino}-2-(methylsulfanyl)pyrimidine-5-carbonitrile
Chemical Structure Depiction of
4-(4-tert-butylphenyl)-6-{[2-(dimethylamino)ethyl]amino}-2-(methylsulfanyl)pyrimidine-5-carbonitrile
4-(4-tert-butylphenyl)-6-{[2-(dimethylamino)ethyl]amino}-2-(methylsulfanyl)pyrimidine-5-carbonitrile
Compound characteristics
| Compound ID: | D490-0011 |
| Compound Name: | 4-(4-tert-butylphenyl)-6-{[2-(dimethylamino)ethyl]amino}-2-(methylsulfanyl)pyrimidine-5-carbonitrile |
| Molecular Weight: | 369.53 |
| Molecular Formula: | C20 H27 N5 S |
| Smiles: | CC(C)(C)c1ccc(cc1)c1c(C#N)c(NCCN(C)C)nc(n1)SC |
| Stereo: | ACHIRAL |
| logP: | 4.856 |
| logD: | 3.8678 |
| logSw: | -4.6134 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.94 |
| InChI Key: | QVCBHYUSXHPAIT-UHFFFAOYSA-N |