methyl [1-methyl-9-(4-methylphenyl)-2,4-dioxo-1,4,6,7,8,9-hexahydropyrimido[2,1-f]purin-3(2H)-yl]acetate
Chemical Structure Depiction of
methyl [1-methyl-9-(4-methylphenyl)-2,4-dioxo-1,4,6,7,8,9-hexahydropyrimido[2,1-f]purin-3(2H)-yl]acetate
methyl [1-methyl-9-(4-methylphenyl)-2,4-dioxo-1,4,6,7,8,9-hexahydropyrimido[2,1-f]purin-3(2H)-yl]acetate
Compound characteristics
| Compound ID: | D389-0065 |
| Compound Name: | methyl [1-methyl-9-(4-methylphenyl)-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: | Cc1ccc(cc1)N1CCCn2c3C(N(CC(=O)OC)C(N(C)c3nc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2718 |
| logD: | 2.2715 |
| logSw: | -2.5633 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 65.633 |
| InChI Key: | MXTSBPZYVDGUCL-UHFFFAOYSA-N |