9-(3,5-dimethylphenyl)-1,3-dimethyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
Chemical Structure Depiction of
9-(3,5-dimethylphenyl)-1,3-dimethyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
9-(3,5-dimethylphenyl)-1,3-dimethyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | D389-0269 |
| Compound Name: | 9-(3,5-dimethylphenyl)-1,3-dimethyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione |
| Molecular Weight: | 339.4 |
| Molecular Formula: | C18 H21 N5 O2 |
| Smiles: | Cc1cc(C)cc(c1)N1CCCn2c3C(N(C)C(N(C)c3nc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6149 |
| logD: | 3.587 |
| logSw: | -3.5724 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 44.82 |
| InChI Key: | JKHBPDOOEGEKIK-UHFFFAOYSA-N |