4-(4-tert-butylphenyl)-2-(methylsulfanyl)-6-[(prop-2-en-1-yl)amino]pyrimidine-5-carbonitrile
Chemical Structure Depiction of
4-(4-tert-butylphenyl)-2-(methylsulfanyl)-6-[(prop-2-en-1-yl)amino]pyrimidine-5-carbonitrile
4-(4-tert-butylphenyl)-2-(methylsulfanyl)-6-[(prop-2-en-1-yl)amino]pyrimidine-5-carbonitrile
Compound characteristics
| Compound ID: | D490-0110 |
| Compound Name: | 4-(4-tert-butylphenyl)-2-(methylsulfanyl)-6-[(prop-2-en-1-yl)amino]pyrimidine-5-carbonitrile |
| Molecular Weight: | 338.47 |
| Molecular Formula: | C19 H22 N4 S |
| Smiles: | CC(C)(C)c1ccc(cc1)c1c(C#N)c(NCC=C)nc(n1)SC |
| Stereo: | ACHIRAL |
| logP: | 5.2311 |
| logD: | 5.2311 |
| logSw: | -5.2954 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.074 |
| InChI Key: | IZSBTWNKVMOBSK-UHFFFAOYSA-N |