5-benzyl-2-(3,4-dihydroisoquinolin-2(1H)-yl)-6-methylpyrimidin-4(3H)-one
Chemical Structure Depiction of
5-benzyl-2-(3,4-dihydroisoquinolin-2(1H)-yl)-6-methylpyrimidin-4(3H)-one
5-benzyl-2-(3,4-dihydroisoquinolin-2(1H)-yl)-6-methylpyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | Y020-1446 |
| Compound Name: | 5-benzyl-2-(3,4-dihydroisoquinolin-2(1H)-yl)-6-methylpyrimidin-4(3H)-one |
| Molecular Weight: | 331.42 |
| Molecular Formula: | C21 H21 N3 O |
| Smiles: | CC1=C(Cc2ccccc2)C(NC(=N1)N1CCc2ccccc2C1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6085 |
| logD: | 3.6072 |
| logSw: | -3.5663 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 36.999 |
| InChI Key: | CDSUTEQMFGBFHW-UHFFFAOYSA-N |