2-amino-4-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-6-(methylsulfanyl)pyrimidine-5-carbonitrile
Chemical Structure Depiction of
2-amino-4-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-6-(methylsulfanyl)pyrimidine-5-carbonitrile
2-amino-4-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-6-(methylsulfanyl)pyrimidine-5-carbonitrile
Compound characteristics
Compound ID: | 8001-8249 |
Compound Name: | 2-amino-4-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-6-(methylsulfanyl)pyrimidine-5-carbonitrile |
Molecular Weight: | 330.43 |
Molecular Formula: | C15 H14 N4 O S2 |
Smiles: | Cc1ccc(cc1)C(CSc1c(C#N)c(nc(N)n1)SC)=O |
Stereo: | ACHIRAL |
logP: | 3.1771 |
logD: | 3.1771 |
logSw: | -3.3435 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 69.57 |
InChI Key: | LFUSAKNAGIZNBU-UHFFFAOYSA-N |