3-benzyl-9-(4-methoxyphenyl)-1-methyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
Chemical Structure Depiction of
3-benzyl-9-(4-methoxyphenyl)-1-methyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
3-benzyl-9-(4-methoxyphenyl)-1-methyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | D389-0081 |
| Compound Name: | 3-benzyl-9-(4-methoxyphenyl)-1-methyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione |
| Molecular Weight: | 417.47 |
| Molecular Formula: | C23 H23 N5 O3 |
| Smiles: | CN1C(N(Cc2ccccc2)C(c2c1nc1N(CCCn12)c1ccc(cc1)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9339 |
| logD: | 3.9331 |
| logSw: | -4.0283 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 52.326 |
| InChI Key: | VBFACQAYOBUFDT-UHFFFAOYSA-N |