3,9-dibenzyl-1-methyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
Chemical Structure Depiction of
3,9-dibenzyl-1-methyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
3,9-dibenzyl-1-methyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | D389-0752 |
| Compound Name: | 3,9-dibenzyl-1-methyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione |
| Molecular Weight: | 401.47 |
| Molecular Formula: | C23 H23 N5 O2 |
| Smiles: | CN1C(N(Cc2ccccc2)C(c2c1nc1N(CCCn12)Cc1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.782 |
| logD: | 3.7765 |
| logSw: | -3.8001 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 45.229 |
| InChI Key: | QNDRVOUAQMGWNS-UHFFFAOYSA-N |