4-(4-tert-butylphenyl)-2-(methylsulfanyl)-6-{[(oxolan-2-yl)methyl]amino}pyrimidine-5-carbonitrile
Chemical Structure Depiction of
4-(4-tert-butylphenyl)-2-(methylsulfanyl)-6-{[(oxolan-2-yl)methyl]amino}pyrimidine-5-carbonitrile
4-(4-tert-butylphenyl)-2-(methylsulfanyl)-6-{[(oxolan-2-yl)methyl]amino}pyrimidine-5-carbonitrile
Compound characteristics
| Compound ID: | D490-0111 |
| Compound Name: | 4-(4-tert-butylphenyl)-2-(methylsulfanyl)-6-{[(oxolan-2-yl)methyl]amino}pyrimidine-5-carbonitrile |
| Molecular Weight: | 382.53 |
| Molecular Formula: | C21 H26 N4 O S |
| Smiles: | CC(C)(C)c1ccc(cc1)c1c(C#N)c(NCC2CCCO2)nc(n1)SC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.952 |
| logD: | 4.952 |
| logSw: | -4.7346 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.615 |
| InChI Key: | IGPXJCPZZIYUKR-MRXNPFEDSA-N |