methyl (9-benzyl-1-methyl-2,4-dioxo-1,4,6,7,8,9-hexahydropyrimido[2,1-f]purin-3(2H)-yl)acetate
Chemical Structure Depiction of
methyl (9-benzyl-1-methyl-2,4-dioxo-1,4,6,7,8,9-hexahydropyrimido[2,1-f]purin-3(2H)-yl)acetate
methyl (9-benzyl-1-methyl-2,4-dioxo-1,4,6,7,8,9-hexahydropyrimido[2,1-f]purin-3(2H)-yl)acetate
Compound characteristics
| Compound ID: | D389-0775 |
| Compound Name: | methyl (9-benzyl-1-methyl-2,4-dioxo-1,4,6,7,8,9-hexahydropyrimido[2,1-f]purin-3(2H)-yl)acetate |
| Molecular Weight: | 383.41 |
| Molecular Formula: | C19 H21 N5 O4 |
| Smiles: | CN1C(N(CC(=O)OC)C(c2c1nc1N(CCCn12)Cc1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6789 |
| logD: | 1.6766 |
| logSw: | -1.8589 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 66.079 |
| InChI Key: | MLNDIOXDTRMKNC-UHFFFAOYSA-N |