1,7-dimethyl-3-(2-oxopropyl)-9-(2-phenylethyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
Chemical Structure Depiction of
1,7-dimethyl-3-(2-oxopropyl)-9-(2-phenylethyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
1,7-dimethyl-3-(2-oxopropyl)-9-(2-phenylethyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | D389-0968 |
| Compound Name: | 1,7-dimethyl-3-(2-oxopropyl)-9-(2-phenylethyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione |
| Molecular Weight: | 395.46 |
| Molecular Formula: | C21 H25 N5 O3 |
| Smiles: | CC1CN(CCc2ccccc2)c2nc3c(C(N(CC(C)=O)C(N3C)=O)=O)n2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.4372 |
| logD: | 2.437 |
| logSw: | -2.4876 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 58.68 |
| InChI Key: | BJPJIGGLDCFNJY-AWEZNQCLSA-N |