9-benzyl-1,7-dimethyl-3-(2-oxopropyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
Chemical Structure Depiction of
9-benzyl-1,7-dimethyl-3-(2-oxopropyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
9-benzyl-1,7-dimethyl-3-(2-oxopropyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | D389-0936 |
| Compound Name: | 9-benzyl-1,7-dimethyl-3-(2-oxopropyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione |
| Molecular Weight: | 381.43 |
| Molecular Formula: | C20 H23 N5 O3 |
| Smiles: | CC1CN(Cc2ccccc2)c2nc3c(C(N(CC(C)=O)C(N3C)=O)=O)n2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.1556 |
| logD: | 2.1549 |
| logSw: | -2.3986 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 58.702 |
| InChI Key: | QZCMXXMIAGVDNY-ZDUSSCGKSA-N |