2-(3,4-dihydroisoquinolin-2(1H)-yl)-6-methyl-5-pentylpyrimidin-4(3H)-one
Chemical Structure Depiction of
2-(3,4-dihydroisoquinolin-2(1H)-yl)-6-methyl-5-pentylpyrimidin-4(3H)-one
2-(3,4-dihydroisoquinolin-2(1H)-yl)-6-methyl-5-pentylpyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | Y020-0940 |
| Compound Name: | 2-(3,4-dihydroisoquinolin-2(1H)-yl)-6-methyl-5-pentylpyrimidin-4(3H)-one |
| Molecular Weight: | 311.43 |
| Molecular Formula: | C19 H25 N3 O |
| Smiles: | CCCCCC1=C(C)N=C(NC1=O)N1CCc2ccccc2C1 |
| Stereo: | ACHIRAL |
| logP: | 4.2888 |
| logD: | 4.2849 |
| logSw: | -3.9962 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 37.27 |
| InChI Key: | GIJQRLMBNAHVIZ-UHFFFAOYSA-N |