methyl [1-methyl-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-methyl-2,4-dioxo-9-(2-phenylethyl)-1,4,6,7,8,9-hexahydropyrimido[2,1-f]purin-3(2H)-yl]acetate
methyl [1-methyl-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: | D389-0834 |
| Compound Name: | methyl [1-methyl-2,4-dioxo-9-(2-phenylethyl)-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: | CN1C(N(CC(=O)OC)C(c2c1nc1N(CCCn12)CCc1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0008 |
| logD: | 2.0002 |
| logSw: | -2.2155 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 66.057 |
| InChI Key: | KSXWHDLTHLTOFU-UHFFFAOYSA-N |