[1,7-dimethyl-9-(3-methylphenyl)-2,4-dioxo-1,4,6,7,8,9-hexahydropyrimido[2,1-f]purin-3(2H)-yl]acetic acid
Chemical Structure Depiction of
[1,7-dimethyl-9-(3-methylphenyl)-2,4-dioxo-1,4,6,7,8,9-hexahydropyrimido[2,1-f]purin-3(2H)-yl]acetic acid
[1,7-dimethyl-9-(3-methylphenyl)-2,4-dioxo-1,4,6,7,8,9-hexahydropyrimido[2,1-f]purin-3(2H)-yl]acetic acid
Compound characteristics
| Compound ID: | 8255-1216 |
| Compound Name: | [1,7-dimethyl-9-(3-methylphenyl)-2,4-dioxo-1,4,6,7,8,9-hexahydropyrimido[2,1-f]purin-3(2H)-yl]acetic acid |
| Molecular Weight: | 383.41 |
| Molecular Formula: | C19 H21 N5 O4 |
| Smiles: | CC1CN(c2cccc(C)c2)c2nc3c(C(N(CC(O)=O)C(N3C)=O)=O)n2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.727 |
| logD: | -2.1494 |
| logSw: | -2.0149 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.305 |
| InChI Key: | XXUKUHBWFSWKOX-LBPRGKRZSA-N |