3-(3-hydroxypropyl)-1,7-dimethyl-9-(2-phenylethyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
Chemical Structure Depiction of
3-(3-hydroxypropyl)-1,7-dimethyl-9-(2-phenylethyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
3-(3-hydroxypropyl)-1,7-dimethyl-9-(2-phenylethyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | D389-0972 |
| Compound Name: | 3-(3-hydroxypropyl)-1,7-dimethyl-9-(2-phenylethyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione |
| Molecular Weight: | 397.48 |
| Molecular Formula: | C21 H27 N5 O3 |
| Smiles: | CC1CN(CCc2ccccc2)c2nc3c(C(N(CCCO)C(N3C)=O)=O)n2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.53 |
| logD: | 2.53 |
| logSw: | -2.3307 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.979 |
| InChI Key: | WWRSRUPAWNGRTN-HNNXBMFYSA-N |