1-hydroxy-4,6-dimethylpyrimidin-2-one;hydrochloride

C6H9ClN2O2 — CID 86720850

IUPAC1-hydroxy-4,6-dimethylpyrimidin-2-one;hydrochloride
SMILESCc1cc(C)n(O)c(=O)n1.Cl
InChIInChI=1S/C6H8N2O2.ClH/c1-4-3-5(2)8(10)6(9)7-4;/h3,10H,1-2H3;1H
InChIKeyQFQSNXIHDAGNIP-UHFFFAOYSA-N
MW176.60 g/mol
LogP0.52
Rot. Bonds

About 1-hydroxy-4,6-dimethylpyrimidin-2-one;hydrochloride

1-hydroxy-4,6-dimethylpyrimidin-2-one;hydrochloride (PubChem CID 86720850) has the molecular formula C6H9ClN2O2 and a molecular weight of 176.60 g/mol. Its IUPAC name is 1-hydroxy-4,6-dimethylpyrimidin-2-one;hydrochloride.

Molecular Properties

Compound Name1-hydroxy-4,6-dimethylpyrimidin-2-one;hydrochloride
PubChem CID86720850
Molecular FormulaC6H9ClN2O2
Molecular Weight176.60 g/mol
Exact Mass176.04
IUPAC Name1-hydroxy-4,6-dimethylpyrimidin-2-one;hydrochloride
SMILESCc1cc(C)n(O)c(=O)n1.Cl
InChIInChI=1S/C6H8N2O2.ClH/c1-4-3-5(2)8(10)6(9)7-4;/h3,10H,1-2H3;1H
InChIKeyQFQSNXIHDAGNIP-UHFFFAOYSA-N
XLogP0.52
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.60
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-4,6-dimethylpyrimidin-2-one;hydrochloride?
The IUPAC name of 1-hydroxy-4,6-dimethylpyrimidin-2-one;hydrochloride (CID 86720850) is 1-hydroxy-4,6-dimethylpyrimidin-2-one;hydrochloride.
What is the SMILES notation for 1-hydroxy-4,6-dimethylpyrimidin-2-one;hydrochloride?
The canonical SMILES for 1-hydroxy-4,6-dimethylpyrimidin-2-one;hydrochloride is Cc1cc(C)n(O)c(=O)n1.Cl.
What is the InChIKey of 1-hydroxy-4,6-dimethylpyrimidin-2-one;hydrochloride?
The InChIKey is QFQSNXIHDAGNIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2.ClH/c1-4-3-5(2)8(10)6(9)7-4;/h3,10H,1-2H3;1H.
What are the key properties of 1-hydroxy-4,6-dimethylpyrimidin-2-one;hydrochloride?
1-hydroxy-4,6-dimethylpyrimidin-2-one;hydrochloride has a molecular weight of 176.60 g/mol, XLogP of 0.52, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-4,6-dimethylpyrimidin-2-one;hydrochloride is sourced from PubChem (CID 86720850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).