2-(5-cyclopropyl-2-pyridinyl)-6-oxo-1H-pyrimidine-4-carboxylic acid

C13H11N3O3 — CID 137045774

IUPAC2-(5-cyclopropyl-2-pyridinyl)-6-oxo-1H-pyrimidine-4-carboxylic acid
SMILESO=C(O)c1cc(=O)[nH]c(-c2ccc(C3CC3)cn2)n1
InChIInChI=1S/C13H11N3O3/c17-11-5-10(13(18)19)15-12(16-11)9-4-3-8(6-14-9)7-1-2-7/h3-7H,1-2H2,(H,18,19)(H,15,16,17)
InChIKeyILFUEDMHKBINOA-UHFFFAOYSA-N
MW257.25 g/mol
LogP1.41
Rot. Bonds3

About 2-(5-cyclopropyl-2-pyridinyl)-6-oxo-1H-pyrimidine-4-carboxylic acid

2-(5-cyclopropyl-2-pyridinyl)-6-oxo-1H-pyrimidine-4-carboxylic acid (PubChem CID 137045774) has the molecular formula C13H11N3O3 and a molecular weight of 257.25 g/mol. Its IUPAC name is 2-(5-cyclopropyl-2-pyridinyl)-6-oxo-1H-pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name2-(5-cyclopropyl-2-pyridinyl)-6-oxo-1H-pyrimidine-4-carboxylic acid
PubChem CID137045774
Molecular FormulaC13H11N3O3
Molecular Weight257.25 g/mol
Exact Mass257.08
IUPAC Name2-(5-cyclopropyl-2-pyridinyl)-6-oxo-1H-pyrimidine-4-carboxylic acid
SMILESO=C(O)c1cc(=O)[nH]c(-c2ccc(C3CC3)cn2)n1
InChIInChI=1S/C13H11N3O3/c17-11-5-10(13(18)19)15-12(16-11)9-4-3-8(6-14-9)7-1-2-7/h3-7H,1-2H2,(H,18,19)(H,15,16,17)
InChIKeyILFUEDMHKBINOA-UHFFFAOYSA-N
XLogP1.41
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(5-cyclopropyl-2-pyridinyl)-6-oxo-1H-pyrimidine-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(5-cyclopropyl-2-pyridinyl)-6-oxo-1H-pyrimidine-4-carboxylic acid?
The IUPAC name of 2-(5-cyclopropyl-2-pyridinyl)-6-oxo-1H-pyrimidine-4-carboxylic acid (CID 137045774) is 2-(5-cyclopropyl-2-pyridinyl)-6-oxo-1H-pyrimidine-4-carboxylic acid.
What is the SMILES notation for 2-(5-cyclopropyl-2-pyridinyl)-6-oxo-1H-pyrimidine-4-carboxylic acid?
The canonical SMILES for 2-(5-cyclopropyl-2-pyridinyl)-6-oxo-1H-pyrimidine-4-carboxylic acid is O=C(O)c1cc(=O)[nH]c(-c2ccc(C3CC3)cn2)n1.
What is the InChIKey of 2-(5-cyclopropyl-2-pyridinyl)-6-oxo-1H-pyrimidine-4-carboxylic acid?
The InChIKey is ILFUEDMHKBINOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O3/c17-11-5-10(13(18)19)15-12(16-11)9-4-3-8(6-14-9)7-1-2-7/h3-7H,1-2H2,(H,18,19)(H,15,16,17).
What are the key properties of 2-(5-cyclopropyl-2-pyridinyl)-6-oxo-1H-pyrimidine-4-carboxylic acid?
2-(5-cyclopropyl-2-pyridinyl)-6-oxo-1H-pyrimidine-4-carboxylic acid has a molecular weight of 257.25 g/mol, XLogP of 1.41, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-cyclopropyl-2-pyridinyl)-6-oxo-1H-pyrimidine-4-carboxylic acid is sourced from PubChem (CID 137045774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).