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

C6H6N2O4 — CID 105434337

IUPAC4-methoxy-6-oxo-1H-pyrimidine-2-carboxylic acid
SMILESCOc1cc(=O)[nH]c(C(=O)O)n1
InChIInChI=1S/C6H6N2O4/c1-12-4-2-3(9)7-5(8-4)6(10)11/h2H,1H3,(H,10,11)(H,7,8,9)
InChIKeyLNYXTOCSGRKZTM-UHFFFAOYSA-N
MW170.12 g/mol
LogP-0.52
Rot. Bonds2

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

4-methoxy-6-oxo-1H-pyrimidine-2-carboxylic acid (PubChem CID 105434337) has the molecular formula C6H6N2O4 and a molecular weight of 170.12 g/mol. Its IUPAC name is 4-methoxy-6-oxo-1H-pyrimidine-2-carboxylic acid.

Molecular Properties

Compound Name4-methoxy-6-oxo-1H-pyrimidine-2-carboxylic acid
PubChem CID105434337
Molecular FormulaC6H6N2O4
Molecular Weight170.12 g/mol
Exact Mass170.03
IUPAC Name4-methoxy-6-oxo-1H-pyrimidine-2-carboxylic acid
SMILESCOc1cc(=O)[nH]c(C(=O)O)n1
InChIInChI=1S/C6H6N2O4/c1-12-4-2-3(9)7-5(8-4)6(10)11/h2H,1H3,(H,10,11)(H,7,8,9)
InChIKeyLNYXTOCSGRKZTM-UHFFFAOYSA-N
XLogP-0.52
TPSA92.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.12
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-oxo-1H-pyrimidine-2-carboxylic acid?
The IUPAC name of 4-methoxy-6-oxo-1H-pyrimidine-2-carboxylic acid (CID 105434337) is 4-methoxy-6-oxo-1H-pyrimidine-2-carboxylic acid.
What is the SMILES notation for 4-methoxy-6-oxo-1H-pyrimidine-2-carboxylic acid?
The canonical SMILES for 4-methoxy-6-oxo-1H-pyrimidine-2-carboxylic acid is COc1cc(=O)[nH]c(C(=O)O)n1.
What is the InChIKey of 4-methoxy-6-oxo-1H-pyrimidine-2-carboxylic acid?
The InChIKey is LNYXTOCSGRKZTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O4/c1-12-4-2-3(9)7-5(8-4)6(10)11/h2H,1H3,(H,10,11)(H,7,8,9).
What are the key properties of 4-methoxy-6-oxo-1H-pyrimidine-2-carboxylic acid?
4-methoxy-6-oxo-1H-pyrimidine-2-carboxylic acid has a molecular weight of 170.12 g/mol, XLogP of -0.52, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-oxo-1H-pyrimidine-2-carboxylic acid is sourced from PubChem (CID 105434337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).