methyl [1,7-dimethyl-2,4-dioxo-9-(2-phenylethyl)-1,4,6,7,8,9-hexahydropyrimido[2,1-f]purin-3(2H)-yl]acetate
Chemical Structure Depiction of
methyl [1,7-dimethyl-2,4-dioxo-9-(2-phenylethyl)-1,4,6,7,8,9-hexahydropyrimido[2,1-f]purin-3(2H)-yl]acetate
methyl [1,7-dimethyl-2,4-dioxo-9-(2-phenylethyl)-1,4,6,7,8,9-hexahydropyrimido[2,1-f]purin-3(2H)-yl]acetate
Compound characteristics
| Compound ID: | D389-0976 |
| Compound Name: | methyl [1,7-dimethyl-2,4-dioxo-9-(2-phenylethyl)-1,4,6,7,8,9-hexahydropyrimido[2,1-f]purin-3(2H)-yl]acetate |
| Molecular Weight: | 411.46 |
| Molecular Formula: | C21 H25 N5 O4 |
| Smiles: | CC1CN(CCc2ccccc2)c2nc3c(C(N(CC(=O)OC)C(N3C)=O)=O)n2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.4941 |
| logD: | 2.4939 |
| logSw: | -2.4225 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 65.924 |
| InChI Key: | XHMOIECOFIWFDZ-AWEZNQCLSA-N |