4-(4-tert-butylphenyl)-6-{[(2-methoxyphenyl)methyl]amino}-2-(methylsulfanyl)pyrimidine-5-carbonitrile
Chemical Structure Depiction of
4-(4-tert-butylphenyl)-6-{[(2-methoxyphenyl)methyl]amino}-2-(methylsulfanyl)pyrimidine-5-carbonitrile
4-(4-tert-butylphenyl)-6-{[(2-methoxyphenyl)methyl]amino}-2-(methylsulfanyl)pyrimidine-5-carbonitrile
Compound characteristics
| Compound ID: | D490-0083 |
| Compound Name: | 4-(4-tert-butylphenyl)-6-{[(2-methoxyphenyl)methyl]amino}-2-(methylsulfanyl)pyrimidine-5-carbonitrile |
| Molecular Weight: | 418.56 |
| Molecular Formula: | C24 H26 N4 O S |
| Smiles: | CC(C)(C)c1ccc(cc1)c1c(C#N)c(NCc2ccccc2OC)nc(n1)SC |
| Stereo: | ACHIRAL |
| logP: | 6.3185 |
| logD: | 6.3184 |
| logSw: | -5.8686 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.591 |
| InChI Key: | LJPPGNPNTTUWST-UHFFFAOYSA-N |