9-benzyl-3-(2-ethoxyethyl)-1-methyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
Chemical Structure Depiction of
9-benzyl-3-(2-ethoxyethyl)-1-methyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
9-benzyl-3-(2-ethoxyethyl)-1-methyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | D389-0769 |
| Compound Name: | 9-benzyl-3-(2-ethoxyethyl)-1-methyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione |
| Molecular Weight: | 383.45 |
| Molecular Formula: | C20 H25 N5 O3 |
| Smiles: | CCOCCN1C(c2c(nc3N(CCCn23)Cc2ccccc2)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4791 |
| logD: | 2.4786 |
| logSw: | -2.4493 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 53.456 |
| InChI Key: | XKRKYGJJNTVCTJ-UHFFFAOYSA-N |