9-benzyl-3-[(2,5-dimethylphenyl)methyl]-1-methyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
Chemical Structure Depiction of
9-benzyl-3-[(2,5-dimethylphenyl)methyl]-1-methyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
9-benzyl-3-[(2,5-dimethylphenyl)methyl]-1-methyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | D389-0760 |
| Compound Name: | 9-benzyl-3-[(2,5-dimethylphenyl)methyl]-1-methyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione |
| Molecular Weight: | 429.52 |
| Molecular Formula: | C25 H27 N5 O2 |
| Smiles: | Cc1ccc(C)c(CN2C(c3c(nc4N(CCCn34)Cc3ccccc3)N(C)C2=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.828 |
| logD: | 4.8226 |
| logSw: | -4.5619 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 45.229 |
| InChI Key: | RALUTNKSIKFEMX-UHFFFAOYSA-N |