4-[(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)amino]benzoic acid
Chemical Structure Depiction of
4-[(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)amino]benzoic acid
4-[(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)amino]benzoic acid
Compound characteristics
| Compound ID: | D416-0344 |
| Compound Name: | 4-[(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)amino]benzoic acid |
| Molecular Weight: | 245.23 |
| Molecular Formula: | C12 H11 N3 O3 |
| Smiles: | CC1=CC(NC(Nc2ccc(cc2)C(O)=O)=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5025 |
| logD: | -0.8927 |
| logSw: | -1.8366 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 72.765 |
| InChI Key: | MOXOHCNEDWVSIE-UHFFFAOYSA-N |