9-(3,4-dimethylphenyl)-1-methyl-3-[(4-methylphenyl)methyl]-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
Chemical Structure Depiction of
9-(3,4-dimethylphenyl)-1-methyl-3-[(4-methylphenyl)methyl]-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
9-(3,4-dimethylphenyl)-1-methyl-3-[(4-methylphenyl)methyl]-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
Compound characteristics
Compound ID: | D389-0243 |
Compound Name: | 9-(3,4-dimethylphenyl)-1-methyl-3-[(4-methylphenyl)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(CN2C(c3c(nc4N(CCCn34)c3ccc(C)c(C)c3)N(C)C2=O)=O)cc1 |
Stereo: | ACHIRAL |
logP: | 5.4823 |
logD: | 5.4779 |
logSw: | -5.1299 |
Hydrogen bond acceptors count: | 5 |
Polar surface area: | 44.783 |
InChI Key: | PYCIPKGILOQLOK-UHFFFAOYSA-N |