2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]benzoic acid

C12H9N3O5 — CID 28773270

IUPAC2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]benzoic acid
SMILESO=C(O)c1ccccc1NC(=O)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C12H9N3O5/c16-9(7-5-13-12(20)15-10(7)17)14-8-4-2-1-3-6(8)11(18)19/h1-5H,(H,14,16)(H,18,19)(H2,13,15,17,20)
InChIKeyCACNKYQYHCNVIJ-UHFFFAOYSA-N
MW275.22 g/mol
LogP0.01
Rot. Bonds3

About 2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]benzoic acid

2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]benzoic acid (PubChem CID 28773270) has the molecular formula C12H9N3O5 and a molecular weight of 275.22 g/mol. Its IUPAC name is 2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]benzoic acid
PubChem CID28773270
Molecular FormulaC12H9N3O5
Molecular Weight275.22 g/mol
Exact Mass275.05
IUPAC Name2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]benzoic acid
SMILESO=C(O)c1ccccc1NC(=O)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C12H9N3O5/c16-9(7-5-13-12(20)15-10(7)17)14-8-4-2-1-3-6(8)11(18)19/h1-5H,(H,14,16)(H,18,19)(H2,13,15,17,20)
InChIKeyCACNKYQYHCNVIJ-UHFFFAOYSA-N
XLogP0.01
TPSA132.12 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.22
LogP ≤ 50.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 43599993
N-[2-(hydroxymethyl)phenyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 60653296
2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-6-fluorobenzoic acid
CID 43442864
2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-4-fluorobenzoic acid
CID 28773366
5-bromo-2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]benzoic acid
CID 62073266
N-(2-chloro-4-hydroxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 64786362
2-[[2-(methylamino)benzoyl]amino]benzoic acid
CID 12819847
N-(2,5-dimethylphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 110857337
N-(2,4-dichlorophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 110864096
2-[(2-acetylbenzoyl)amino]benzoic acid
CID 71162267
2-[[2-(phenylcarbamoyl)phenyl]carbamoyl]benzoic acid
CID 1008649
2-[[2-[(2-phenylacetyl)amino]benzoyl]amino]benzoic acid
CID 54761803

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]benzoic acid?
The IUPAC name of 2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]benzoic acid (CID 28773270) is 2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]benzoic acid.
What is the SMILES notation for 2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]benzoic acid?
The canonical SMILES for 2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]benzoic acid is O=C(O)c1ccccc1NC(=O)c1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of 2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]benzoic acid?
The InChIKey is CACNKYQYHCNVIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O5/c16-9(7-5-13-12(20)15-10(7)17)14-8-4-2-1-3-6(8)11(18)19/h1-5H,(H,14,16)(H,18,19)(H2,13,15,17,20).
What are the key properties of 2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]benzoic acid?
2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]benzoic acid has a molecular weight of 275.22 g/mol, XLogP of 0.01, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]benzoic acid is sourced from PubChem (CID 28773270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).