4-[(2,4-dioxo-1H-pyrimidin-6-yl)methylamino]benzoic acid
Basic information
- CAS
73541-53-4- Standard SMILES
O=C(O)c1ccc(NCc2cc(=O)[nH]c(=O)[nH]2)cc1- InChIKey
QFDJKUKERMPFHV-UHFFFAOYSA-N- Molecular formula
- C12H11N3O4
- Average molar mass
- 261.23 g/mol
- Monoisotopic mass
- 261.07495584
Names & identifiers
- Preferred name
- 4-[(2,4-dioxo-1H-pyrimidin-6-yl)methylamino]benzoic acid
- IUPAC
- 4-[(2,4-dioxo-1H-pyrimidin-6-yl)methylamino]benzoic acid
Names & synonyms
NSC22534673541-53-4DTXSID20310335NSC-2253464-{[(2,6-Dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl]amino}benzoic acid
Database identifiers
- CAS
73541-53-4- PubChem CID
- 312955
- DTXSID
DTXSID20310335
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 425
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Compound notes
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