2-(2-aminophenyl)-6-oxo-1H-pyrimidine-5-carboxylic acid

C11H9N3O3 — CID 12535840

IUPAC2-(2-aminophenyl)-6-oxo-1H-pyrimidine-5-carboxylic acid
SMILESNc1ccccc1-c1ncc(C(=O)O)c(=O)[nH]1
InChIInChI=1S/C11H9N3O3/c12-8-4-2-1-3-6(8)9-13-5-7(11(16)17)10(15)14-9/h1-5H,12H2,(H,16,17)(H,13,14,15)
InChIKeySZAHXUWVFYMBRV-UHFFFAOYSA-N
MW231.21 g/mol
LogP0.72
Rot. Bonds2

About 2-(2-aminophenyl)-6-oxo-1H-pyrimidine-5-carboxylic acid

2-(2-aminophenyl)-6-oxo-1H-pyrimidine-5-carboxylic acid (PubChem CID 12535840) has the molecular formula C11H9N3O3 and a molecular weight of 231.21 g/mol. Its IUPAC name is 2-(2-aminophenyl)-6-oxo-1H-pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-(2-aminophenyl)-6-oxo-1H-pyrimidine-5-carboxylic acid
PubChem CID12535840
Molecular FormulaC11H9N3O3
Molecular Weight231.21 g/mol
Exact Mass231.06
IUPAC Name2-(2-aminophenyl)-6-oxo-1H-pyrimidine-5-carboxylic acid
SMILESNc1ccccc1-c1ncc(C(=O)O)c(=O)[nH]1
InChIInChI=1S/C11H9N3O3/c12-8-4-2-1-3-6(8)9-13-5-7(11(16)17)10(15)14-9/h1-5H,12H2,(H,16,17)(H,13,14,15)
InChIKeySZAHXUWVFYMBRV-UHFFFAOYSA-N
XLogP0.72
TPSA109.07 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.21
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminophenyl)-6-oxo-1H-pyrimidine-5-carboxylic acid?
The IUPAC name of 2-(2-aminophenyl)-6-oxo-1H-pyrimidine-5-carboxylic acid (CID 12535840) is 2-(2-aminophenyl)-6-oxo-1H-pyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-(2-aminophenyl)-6-oxo-1H-pyrimidine-5-carboxylic acid?
The canonical SMILES for 2-(2-aminophenyl)-6-oxo-1H-pyrimidine-5-carboxylic acid is Nc1ccccc1-c1ncc(C(=O)O)c(=O)[nH]1.
What is the InChIKey of 2-(2-aminophenyl)-6-oxo-1H-pyrimidine-5-carboxylic acid?
The InChIKey is SZAHXUWVFYMBRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O3/c12-8-4-2-1-3-6(8)9-13-5-7(11(16)17)10(15)14-9/h1-5H,12H2,(H,16,17)(H,13,14,15).
What are the key properties of 2-(2-aminophenyl)-6-oxo-1H-pyrimidine-5-carboxylic acid?
2-(2-aminophenyl)-6-oxo-1H-pyrimidine-5-carboxylic acid has a molecular weight of 231.21 g/mol, XLogP of 0.72, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminophenyl)-6-oxo-1H-pyrimidine-5-carboxylic acid is sourced from PubChem (CID 12535840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).