9-(3,5-dimethylphenyl)-3-(2-methoxyethyl)-1,7-dimethyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
Chemical Structure Depiction of
9-(3,5-dimethylphenyl)-3-(2-methoxyethyl)-1,7-dimethyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
9-(3,5-dimethylphenyl)-3-(2-methoxyethyl)-1,7-dimethyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | D389-0636 |
| Compound Name: | 9-(3,5-dimethylphenyl)-3-(2-methoxyethyl)-1,7-dimethyl-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(c2cc(C)cc(C)c2)c2nc3c(C(N(CCOC)C(N3C)=O)=O)n2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6764 |
| logD: | 3.6757 |
| logSw: | -3.6879 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 53.242 |
| InChI Key: | QCNRZTRGBCIGGA-HNNXBMFYSA-N |