2-[(2-oxo-1H-pyrimidin-5-yl)amino]benzoic acid

C11H9N3O3 — CID 115038092

IUPAC2-[(2-oxo-1H-pyrimidin-5-yl)amino]benzoic acid
SMILESO=C(O)c1ccccc1Nc1cnc(=O)[nH]c1
InChIInChI=1S/C11H9N3O3/c15-10(16)8-3-1-2-4-9(8)14-7-5-12-11(17)13-6-7/h1-6,14H,(H,15,16)(H,12,13,17)
InChIKeyJHICZLKJBPHFGV-UHFFFAOYSA-N
MW231.21 g/mol
LogP1.21
Rot. Bonds3

About 2-[(2-oxo-1H-pyrimidin-5-yl)amino]benzoic acid

2-[(2-oxo-1H-pyrimidin-5-yl)amino]benzoic acid (PubChem CID 115038092) has the molecular formula C11H9N3O3 and a molecular weight of 231.21 g/mol. Its IUPAC name is 2-[(2-oxo-1H-pyrimidin-5-yl)amino]benzoic acid.

Molecular Properties

Compound Name2-[(2-oxo-1H-pyrimidin-5-yl)amino]benzoic acid
PubChem CID115038092
Molecular FormulaC11H9N3O3
Molecular Weight231.21 g/mol
Exact Mass231.06
IUPAC Name2-[(2-oxo-1H-pyrimidin-5-yl)amino]benzoic acid
SMILESO=C(O)c1ccccc1Nc1cnc(=O)[nH]c1
InChIInChI=1S/C11H9N3O3/c15-10(16)8-3-1-2-4-9(8)14-7-5-12-11(17)13-6-7/h1-6,14H,(H,15,16)(H,12,13,17)
InChIKeyJHICZLKJBPHFGV-UHFFFAOYSA-N
XLogP1.21
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.21
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-[(2-oxo-1H-pyrimidin-5-yl)amino]phenyl]propanoic acid
CID 115055283
2-anilinobenzoic acid;N-phenylaniline
CID 68732454
2-[3-(2-carboxyanilino)anilino]benzoic acid
CID 21179580
2-(4-hydroxyanilino)benzoic acid
CID 11593806
sodium;2-anilinobenzoic acid;formate
CID 174516679
5-(4-aminoanilino)-1H-pyrimidin-2-one
CID 115022517
2-(2-carboxyanilino)benzoic acid;methylsulfanylmethane
CID 144550401
2-[(1-ethylpyrazol-4-yl)amino]benzoic acid
CID 62231031
2-[(5-ethyl-1H-pyrazol-3-yl)amino]benzoic acid
CID 56994792
2-[(5-propan-2-yl-1H-pyrazol-3-yl)amino]benzoic acid
CID 67625460
2-[[5-(trifluoromethyl)-3-pyridinyl]amino]benzoic acid
CID 171343423
2-(4-ethoxyanilino)benzoic acid
CID 15247418

Frequently Asked Questions

What is the IUPAC name of 2-[(2-oxo-1H-pyrimidin-5-yl)amino]benzoic acid?
The IUPAC name of 2-[(2-oxo-1H-pyrimidin-5-yl)amino]benzoic acid (CID 115038092) is 2-[(2-oxo-1H-pyrimidin-5-yl)amino]benzoic acid.
What is the SMILES notation for 2-[(2-oxo-1H-pyrimidin-5-yl)amino]benzoic acid?
The canonical SMILES for 2-[(2-oxo-1H-pyrimidin-5-yl)amino]benzoic acid is O=C(O)c1ccccc1Nc1cnc(=O)[nH]c1.
What is the InChIKey of 2-[(2-oxo-1H-pyrimidin-5-yl)amino]benzoic acid?
The InChIKey is JHICZLKJBPHFGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O3/c15-10(16)8-3-1-2-4-9(8)14-7-5-12-11(17)13-6-7/h1-6,14H,(H,15,16)(H,12,13,17).
What are the key properties of 2-[(2-oxo-1H-pyrimidin-5-yl)amino]benzoic acid?
2-[(2-oxo-1H-pyrimidin-5-yl)amino]benzoic acid has a molecular weight of 231.21 g/mol, XLogP of 1.21, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-oxo-1H-pyrimidin-5-yl)amino]benzoic acid is sourced from PubChem (CID 115038092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).