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

C6H6N2O3 — CID 28799510

IUPAC6-methyl-2-oxo-1H-pyrimidine-4-carboxylic acid
SMILESCc1cc(C(=O)O)nc(=O)[nH]1
InChIInChI=1S/C6H6N2O3/c1-3-2-4(5(9)10)8-6(11)7-3/h2H,1H3,(H,9,10)(H,7,8,11)
InChIKeyJQTKKTAJDBMMBL-UHFFFAOYSA-N
MW154.12 g/mol
LogP-0.22
Rot. Bonds1

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

6-methyl-2-oxo-1H-pyrimidine-4-carboxylic acid (PubChem CID 28799510) has the molecular formula C6H6N2O3 and a molecular weight of 154.12 g/mol. Its IUPAC name is 6-methyl-2-oxo-1H-pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name6-methyl-2-oxo-1H-pyrimidine-4-carboxylic acid
PubChem CID28799510
Molecular FormulaC6H6N2O3
Molecular Weight154.12 g/mol
Exact Mass154.04
IUPAC Name6-methyl-2-oxo-1H-pyrimidine-4-carboxylic acid
SMILESCc1cc(C(=O)O)nc(=O)[nH]1
InChIInChI=1S/C6H6N2O3/c1-3-2-4(5(9)10)8-6(11)7-3/h2H,1H3,(H,9,10)(H,7,8,11)
InChIKeyJQTKKTAJDBMMBL-UHFFFAOYSA-N
XLogP-0.22
TPSA83.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.12
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-oxo-1H-pyrimidine-4-carboxylic acid?
The IUPAC name of 6-methyl-2-oxo-1H-pyrimidine-4-carboxylic acid (CID 28799510) is 6-methyl-2-oxo-1H-pyrimidine-4-carboxylic acid.
What is the SMILES notation for 6-methyl-2-oxo-1H-pyrimidine-4-carboxylic acid?
The canonical SMILES for 6-methyl-2-oxo-1H-pyrimidine-4-carboxylic acid is Cc1cc(C(=O)O)nc(=O)[nH]1.
What is the InChIKey of 6-methyl-2-oxo-1H-pyrimidine-4-carboxylic acid?
The InChIKey is JQTKKTAJDBMMBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O3/c1-3-2-4(5(9)10)8-6(11)7-3/h2H,1H3,(H,9,10)(H,7,8,11).
What are the key properties of 6-methyl-2-oxo-1H-pyrimidine-4-carboxylic acid?
6-methyl-2-oxo-1H-pyrimidine-4-carboxylic acid has a molecular weight of 154.12 g/mol, XLogP of -0.22, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-oxo-1H-pyrimidine-4-carboxylic acid is sourced from PubChem (CID 28799510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).