9-(2,3-dimethylphenyl)-1-methyl-3-[(naphthalen-1-yl)methyl]-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
Chemical Structure Depiction of
9-(2,3-dimethylphenyl)-1-methyl-3-[(naphthalen-1-yl)methyl]-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
9-(2,3-dimethylphenyl)-1-methyl-3-[(naphthalen-1-yl)methyl]-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | D389-1112 |
| Compound Name: | 9-(2,3-dimethylphenyl)-1-methyl-3-[(naphthalen-1-yl)methyl]-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione |
| Molecular Weight: | 465.55 |
| Molecular Formula: | C28 H27 N5 O2 |
| Smiles: | Cc1cccc(c1C)N1CCCn2c3C(N(Cc4cccc5ccccc45)C(N(C)c3nc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.9261 |
| logD: | 5.9155 |
| logSw: | -6.5158 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 44.21 |
| InChI Key: | KQRGLBYTDMFJDB-UHFFFAOYSA-N |