6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxylic acid;hydrochloride

C9H13ClN2O3 — CID 71308010

IUPAC6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxylic acid;hydrochloride
SMILESCC(C)Cc1cc(C(=O)O)nc(=O)[nH]1.Cl
InChIInChI=1S/C9H12N2O3.ClH/c1-5(2)3-6-4-7(8(12)13)11-9(14)10-6;/h4-5H,3H2,1-2H3,(H,12,13)(H,10,11,14);1H
InChIKeyBYEKQFVYFZAQDM-UHFFFAOYSA-N
MW232.67 g/mol
LogP1.09
Rot. Bonds3

About 6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxylic acid;hydrochloride

6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxylic acid;hydrochloride (PubChem CID 71308010) has the molecular formula C9H13ClN2O3 and a molecular weight of 232.67 g/mol. Its IUPAC name is 6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxylic acid;hydrochloride
PubChem CID71308010
Molecular FormulaC9H13ClN2O3
Molecular Weight232.67 g/mol
Exact Mass232.06
IUPAC Name6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxylic acid;hydrochloride
SMILESCC(C)Cc1cc(C(=O)O)nc(=O)[nH]1.Cl
InChIInChI=1S/C9H12N2O3.ClH/c1-5(2)3-6-4-7(8(12)13)11-9(14)10-6;/h4-5H,3H2,1-2H3,(H,12,13)(H,10,11,14);1H
InChIKeyBYEKQFVYFZAQDM-UHFFFAOYSA-N
XLogP1.09
TPSA83.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.67
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxylic acid;hydrochloride?
The IUPAC name of 6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxylic acid;hydrochloride (CID 71308010) is 6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxylic acid;hydrochloride.
What is the SMILES notation for 6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxylic acid;hydrochloride?
The canonical SMILES for 6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxylic acid;hydrochloride is CC(C)Cc1cc(C(=O)O)nc(=O)[nH]1.Cl.
What is the InChIKey of 6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxylic acid;hydrochloride?
The InChIKey is BYEKQFVYFZAQDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3.ClH/c1-5(2)3-6-4-7(8(12)13)11-9(14)10-6;/h4-5H,3H2,1-2H3,(H,12,13)(H,10,11,14);1H.
What are the key properties of 6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxylic acid;hydrochloride?
6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxylic acid;hydrochloride has a molecular weight of 232.67 g/mol, XLogP of 1.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxylic acid;hydrochloride is sourced from PubChem (CID 71308010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).