9-benzyl-3-[(2,5-dimethylphenyl)methyl]-1,7-dimethyl-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]-1,7-dimethyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
9-benzyl-3-[(2,5-dimethylphenyl)methyl]-1,7-dimethyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | D389-0934 |
| Compound Name: | 9-benzyl-3-[(2,5-dimethylphenyl)methyl]-1,7-dimethyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione |
| Molecular Weight: | 443.55 |
| Molecular Formula: | C26 H29 N5 O2 |
| Smiles: | CC1CN(Cc2ccccc2)c2nc3c(C(N(Cc4cc(C)ccc4C)C(N3C)=O)=O)n2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.3616 |
| logD: | 5.3599 |
| logSw: | -5.1833 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 45.095 |
| InChI Key: | CJKCPRLOIRHZND-SFHVURJKSA-N |