9-(4-ethoxyphenyl)-1-methyl-3-[(3-methylphenyl)methyl]-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
Chemical Structure Depiction of
9-(4-ethoxyphenyl)-1-methyl-3-[(3-methylphenyl)methyl]-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
9-(4-ethoxyphenyl)-1-methyl-3-[(3-methylphenyl)methyl]-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | D389-0129 |
| Compound Name: | 9-(4-ethoxyphenyl)-1-methyl-3-[(3-methylphenyl)methyl]-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione |
| Molecular Weight: | 445.52 |
| Molecular Formula: | C25 H27 N5 O3 |
| Smiles: | CCOc1ccc(cc1)N1CCCn2c3C(N(Cc4cccc(C)c4)C(N(C)c3nc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.967 |
| logD: | 4.9662 |
| logSw: | -4.5716 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 51.906 |
| InChI Key: | YDQYDUGAJSPVPU-UHFFFAOYSA-N |