4-(4-tert-butylphenyl)-2-(methylsulfanyl)-6-[4-(pyrrolidin-1-yl)anilino]pyrimidine-5-carbonitrile
Chemical Structure Depiction of
4-(4-tert-butylphenyl)-2-(methylsulfanyl)-6-[4-(pyrrolidin-1-yl)anilino]pyrimidine-5-carbonitrile
4-(4-tert-butylphenyl)-2-(methylsulfanyl)-6-[4-(pyrrolidin-1-yl)anilino]pyrimidine-5-carbonitrile
Compound characteristics
| Compound ID: | D490-0094 |
| Compound Name: | 4-(4-tert-butylphenyl)-2-(methylsulfanyl)-6-[4-(pyrrolidin-1-yl)anilino]pyrimidine-5-carbonitrile |
| Molecular Weight: | 443.61 |
| Molecular Formula: | C26 H29 N5 S |
| Smiles: | CC(C)(C)c1ccc(cc1)c1c(C#N)c(Nc2ccc(cc2)N2CCCC2)nc(n1)SC |
| Stereo: | ACHIRAL |
| logP: | 7.2845 |
| logD: | 7.2841 |
| logSw: | -5.9294 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.457 |
| InChI Key: | AAMFQGCREVXTKA-UHFFFAOYSA-N |