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

C6H7ClN2O3 — CID 46736380

IUPAC6-methyl-2-oxo-1H-pyrimidine-4-carboxylic acid;hydrochloride
SMILESCc1cc(C(=O)O)nc(=O)[nH]1.Cl
InChIInChI=1S/C6H6N2O3.ClH/c1-3-2-4(5(9)10)8-6(11)7-3;/h2H,1H3,(H,9,10)(H,7,8,11);1H
InChIKeyXBMSHMZYBWFYOA-UHFFFAOYSA-N
MW190.59 g/mol
LogP0.20
Rot. Bonds1

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

6-methyl-2-oxo-1H-pyrimidine-4-carboxylic acid;hydrochloride (PubChem CID 46736380) has the molecular formula C6H7ClN2O3 and a molecular weight of 190.59 g/mol. Its IUPAC name is 6-methyl-2-oxo-1H-pyrimidine-4-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name6-methyl-2-oxo-1H-pyrimidine-4-carboxylic acid;hydrochloride
PubChem CID46736380
Molecular FormulaC6H7ClN2O3
Molecular Weight190.59 g/mol
Exact Mass190.01
IUPAC Name6-methyl-2-oxo-1H-pyrimidine-4-carboxylic acid;hydrochloride
SMILESCc1cc(C(=O)O)nc(=O)[nH]1.Cl
InChIInChI=1S/C6H6N2O3.ClH/c1-3-2-4(5(9)10)8-6(11)7-3;/h2H,1H3,(H,9,10)(H,7,8,11);1H
InChIKeyXBMSHMZYBWFYOA-UHFFFAOYSA-N
XLogP0.20
TPSA83.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.59
LogP ≤ 50.20
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;hydrochloride?
The IUPAC name of 6-methyl-2-oxo-1H-pyrimidine-4-carboxylic acid;hydrochloride (CID 46736380) is 6-methyl-2-oxo-1H-pyrimidine-4-carboxylic acid;hydrochloride.
What is the SMILES notation for 6-methyl-2-oxo-1H-pyrimidine-4-carboxylic acid;hydrochloride?
The canonical SMILES for 6-methyl-2-oxo-1H-pyrimidine-4-carboxylic acid;hydrochloride is Cc1cc(C(=O)O)nc(=O)[nH]1.Cl.
What is the InChIKey of 6-methyl-2-oxo-1H-pyrimidine-4-carboxylic acid;hydrochloride?
The InChIKey is XBMSHMZYBWFYOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O3.ClH/c1-3-2-4(5(9)10)8-6(11)7-3;/h2H,1H3,(H,9,10)(H,7,8,11);1H.
What are the key properties of 6-methyl-2-oxo-1H-pyrimidine-4-carboxylic acid;hydrochloride?
6-methyl-2-oxo-1H-pyrimidine-4-carboxylic acid;hydrochloride has a molecular weight of 190.59 g/mol, XLogP of 0.20, 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;hydrochloride is sourced from PubChem (CID 46736380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).