3-(3-hydroxypropyl)-9-(4-methoxyphenyl)-1,7-dimethyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
Chemical Structure Depiction of
3-(3-hydroxypropyl)-9-(4-methoxyphenyl)-1,7-dimethyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
3-(3-hydroxypropyl)-9-(4-methoxyphenyl)-1,7-dimethyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | D389-0447 |
| Compound Name: | 3-(3-hydroxypropyl)-9-(4-methoxyphenyl)-1,7-dimethyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione |
| Molecular Weight: | 399.45 |
| Molecular Formula: | C20 H25 N5 O4 |
| Smiles: | CC1CN(c2ccc(cc2)OC)c2nc3c(C(N(CCCO)C(N3C)=O)=O)n2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.3318 |
| logD: | 2.3318 |
| logSw: | -2.5037 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.099 |
| InChI Key: | MSWOXHMLUMOFAH-ZDUSSCGKSA-N |