5-benzyl-6-methyl-2-(methylsulfanyl)pyrimidin-4(3H)-one
Chemical Structure Depiction of
5-benzyl-6-methyl-2-(methylsulfanyl)pyrimidin-4(3H)-one
5-benzyl-6-methyl-2-(methylsulfanyl)pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | D058-0067 |
| Compound Name: | 5-benzyl-6-methyl-2-(methylsulfanyl)pyrimidin-4(3H)-one |
| Molecular Weight: | 246.33 |
| Molecular Formula: | C13 H14 N2 O S |
| Smiles: | CC1=C(Cc2ccccc2)C(NC(=N1)SC)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3414 |
| logD: | 2.1313 |
| logSw: | -2.7858 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 34.153 |
| InChI Key: | OENAVOGIKPEVCP-UHFFFAOYSA-N |