4-(4-tert-butylphenyl)-6-(4-methylpiperazin-1-yl)-2-(methylsulfanyl)pyrimidine-5-carbonitrile
Chemical Structure Depiction of
4-(4-tert-butylphenyl)-6-(4-methylpiperazin-1-yl)-2-(methylsulfanyl)pyrimidine-5-carbonitrile
4-(4-tert-butylphenyl)-6-(4-methylpiperazin-1-yl)-2-(methylsulfanyl)pyrimidine-5-carbonitrile
Compound characteristics
| Compound ID: | D490-0036 |
| Compound Name: | 4-(4-tert-butylphenyl)-6-(4-methylpiperazin-1-yl)-2-(methylsulfanyl)pyrimidine-5-carbonitrile |
| Molecular Weight: | 381.54 |
| Molecular Formula: | C21 H27 N5 S |
| Smiles: | CC(C)(C)c1ccc(cc1)c1c(C#N)c(nc(n1)SC)N1CCN(C)CC1 |
| Stereo: | ACHIRAL |
| logP: | 5.05 |
| logD: | 4.7793 |
| logSw: | -4.7439 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 41.949 |
| InChI Key: | BVJBRZDGDUEPTG-UHFFFAOYSA-N |