Benzoic acid, 2-[(1,2-dihydro-2-oxo-4-pyrimidinyl)amino]-
Basic information
- CAS
64988-60-9- Standard SMILES
O=C(O)c1ccccc1Nc1ccnc(=O)[nH]1- InChIKey
HJJGYHLYCNVHNR-UHFFFAOYSA-N- Molecular formula
- C11H9N3O3
- Average molar mass
- 231.21 g/mol
- Monoisotopic mass
- 231.06439116
Names & identifiers
- Preferred name
- Benzoic acid, 2-[(1,2-dihydro-2-oxo-4-pyrimidinyl)amino]-
- IUPAC
- 2-[(2-oxo-1H-pyrimidin-6-yl)amino]benzoic acid
Names & synonyms
64988-60-9Benzoic acid, 2-[(1,2-dihydro-2-oxo-4-pyrimidinyl)amino]-2-((2-Oxo-1,2-dihydropyrimidin-4-yl)amino)benzoic acidDTXSID60345409HJJGYHLYCNVHNR-UHFFFAOYSA-N2-[(2-Oxo-1,2-dihydro-4-pyrimidinyl)amino]benzoic acid #2-[(2-Oxo-2,3-dihydropyrimidin-4-yl)amino]benzoic acid
Database identifiers
- CAS
64988-60-9- PubChem CID
- 604266
- DTXSID
DTXSID60345409
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 90.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 389
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Compound notes
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