2-methylidene-4-oxo-1H-pyrimidine-6-carboxylic acid

C6H6N2O3 — CID 11953449

IUPAC2-methylidene-4-oxo-1H-pyrimidine-6-carboxylic acid
SMILESC=C1NC(=O)C=C(C(=O)O)N1
InChIInChI=1S/C6H6N2O3/c1-3-7-4(6(10)11)2-5(9)8-3/h2,7H,1H2,(H,8,9)(H,10,11)
InChIKeyWDTVCVWFYQWCGB-UHFFFAOYSA-N
MW154.12 g/mol
LogP-0.85
Rot. Bonds1

About 2-methylidene-4-oxo-1H-pyrimidine-6-carboxylic acid

2-methylidene-4-oxo-1H-pyrimidine-6-carboxylic acid (PubChem CID 11953449) has the molecular formula C6H6N2O3 and a molecular weight of 154.12 g/mol. Its IUPAC name is 2-methylidene-4-oxo-1H-pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name2-methylidene-4-oxo-1H-pyrimidine-6-carboxylic acid
PubChem CID11953449
Molecular FormulaC6H6N2O3
Molecular Weight154.12 g/mol
Exact Mass154.04
IUPAC Name2-methylidene-4-oxo-1H-pyrimidine-6-carboxylic acid
SMILESC=C1NC(=O)C=C(C(=O)O)N1
InChIInChI=1S/C6H6N2O3/c1-3-7-4(6(10)11)2-5(9)8-3/h2,7H,1H2,(H,8,9)(H,10,11)
InChIKeyWDTVCVWFYQWCGB-UHFFFAOYSA-N
XLogP-0.85
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.12
LogP ≤ 5-0.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methylidene-4-oxo-1H-pyrimidine-6-carboxylic acid?
The IUPAC name of 2-methylidene-4-oxo-1H-pyrimidine-6-carboxylic acid (CID 11953449) is 2-methylidene-4-oxo-1H-pyrimidine-6-carboxylic acid.
What is the SMILES notation for 2-methylidene-4-oxo-1H-pyrimidine-6-carboxylic acid?
The canonical SMILES for 2-methylidene-4-oxo-1H-pyrimidine-6-carboxylic acid is C=C1NC(=O)C=C(C(=O)O)N1.
What is the InChIKey of 2-methylidene-4-oxo-1H-pyrimidine-6-carboxylic acid?
The InChIKey is WDTVCVWFYQWCGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O3/c1-3-7-4(6(10)11)2-5(9)8-3/h2,7H,1H2,(H,8,9)(H,10,11).
What are the key properties of 2-methylidene-4-oxo-1H-pyrimidine-6-carboxylic acid?
2-methylidene-4-oxo-1H-pyrimidine-6-carboxylic acid has a molecular weight of 154.12 g/mol, XLogP of -0.85, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-4-oxo-1H-pyrimidine-6-carboxylic acid is sourced from PubChem (CID 11953449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).