9-benzyl-1-methyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
Chemical Structure Depiction of
9-benzyl-1-methyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
9-benzyl-1-methyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | D389-0745 |
| Compound Name: | 9-benzyl-1-methyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione |
| Molecular Weight: | 311.34 |
| Molecular Formula: | C16 H17 N5 O2 |
| Smiles: | CN1C(NC(c2c1nc1N(CCCn12)Cc1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.044 |
| logD: | 2.0437 |
| logSw: | -2.6962 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.18 |
| InChI Key: | XAVUIVRAQYFZAV-UHFFFAOYSA-N |