methyl [9-(3,5-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-(3,5-dimethylphenyl)-1-methyl-2,4-dioxo-1,4,6,7,8,9-hexahydropyrimido[2,1-f]purin-3(2H)-yl]acetate
methyl [9-(3,5-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: | D389-0302 |
| Compound Name: | methyl [9-(3,5-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: | Cc1cc(C)cc(c1)N1CCCn2c3C(N(CC(=O)OC)C(N(C)c3nc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8343 |
| logD: | 2.8241 |
| logSw: | -2.8376 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 65.633 |
| InChI Key: | KCCHJCHKBSOCNK-UHFFFAOYSA-N |