9-(4-chlorophenyl)-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-(4-chlorophenyl)-3-[(2,5-dimethylphenyl)methyl]-1,7-dimethyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
9-(4-chlorophenyl)-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: | D389-0893 |
| Compound Name: | 9-(4-chlorophenyl)-3-[(2,5-dimethylphenyl)methyl]-1,7-dimethyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione |
| Molecular Weight: | 463.97 |
| Molecular Formula: | C25 H26 Cl N5 O2 |
| Smiles: | CC1CN(c2ccc(cc2)[Cl])c2nc3c(C(N(Cc4cc(C)ccc4C)C(N3C)=O)=O)n2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.0574 |
| logD: | 6.0572 |
| logSw: | -6.0738 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 44.65 |
| InChI Key: | XUNPIKVCMYTFBM-INIZCTEOSA-N |