9-(4-bromophenyl)-1-methyl-3-[2-(piperidin-1-yl)ethyl]-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
Chemical Structure Depiction of
9-(4-bromophenyl)-1-methyl-3-[2-(piperidin-1-yl)ethyl]-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
9-(4-bromophenyl)-1-methyl-3-[2-(piperidin-1-yl)ethyl]-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
Compound characteristics
Compound ID: | D389-0691 |
Compound Name: | 9-(4-bromophenyl)-1-methyl-3-[2-(piperidin-1-yl)ethyl]-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione |
Molecular Weight: | 487.4 |
Molecular Formula: | C22 H27 Br N6 O2 |
Smiles: | CN1C(N(CCN2CCCCC2)C(c2c1nc1N(CCCn12)c1ccc(cc1)[Br])=O)=O |
Stereo: | ACHIRAL |
logP: | 3.9171 |
logD: | 1.7642 |
logSw: | -3.7866 |
Hydrogen bond acceptors count: | 6 |
Polar surface area: | 48.744 |
InChI Key: | GSCIKYGCUBBIPA-UHFFFAOYSA-N |