methyl [9-(3,4-dimethylphenyl)-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-(3,4-dimethylphenyl)-1-methyl-2,4-dioxo-1,4,6,7,8,9-hexahydropyrimido[2,1-f]purin-3(2H)-yl]acetate
methyl [9-(3,4-dimethylphenyl)-1-methyl-2,4-dioxo-1,4,6,7,8,9-hexahydropyrimido[2,1-f]purin-3(2H)-yl]acetate
Compound characteristics
| Compound ID: | D389-0264 |
| Compound Name: | methyl [9-(3,4-dimethylphenyl)-1-methyl-2,4-dioxo-1,4,6,7,8,9-hexahydropyrimido[2,1-f]purin-3(2H)-yl]acetate |
| Molecular Weight: | 397.43 |
| Molecular Formula: | C20 H23 N5 O4 |
| Smiles: | Cc1ccc(cc1C)N1CCCn2c3C(N(CC(=O)OC)C(N(C)c3nc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9559 |
| logD: | 2.954 |
| logSw: | -2.9881 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 65.633 |
| InChI Key: | VHNJPZWNILALQF-UHFFFAOYSA-N |