4-ethyl-1-hydroxy-6-methylpyrimidin-2-one;hydrochloride

C7H11ClN2O2 — CID 90200900

IUPAC4-ethyl-1-hydroxy-6-methylpyrimidin-2-one;hydrochloride
SMILESCCc1cc(C)n(O)c(=O)n1.Cl
InChIInChI=1S/C7H10N2O2.ClH/c1-3-6-4-5(2)9(11)7(10)8-6;/h4,11H,3H2,1-2H3;1H
InChIKeyMCQQJBIVECAYRF-UHFFFAOYSA-N
MW190.63 g/mol
LogP0.77
Rot. Bonds1

About 4-ethyl-1-hydroxy-6-methylpyrimidin-2-one;hydrochloride

4-ethyl-1-hydroxy-6-methylpyrimidin-2-one;hydrochloride (PubChem CID 90200900) has the molecular formula C7H11ClN2O2 and a molecular weight of 190.63 g/mol. Its IUPAC name is 4-ethyl-1-hydroxy-6-methylpyrimidin-2-one;hydrochloride.

Molecular Properties

Compound Name4-ethyl-1-hydroxy-6-methylpyrimidin-2-one;hydrochloride
PubChem CID90200900
Molecular FormulaC7H11ClN2O2
Molecular Weight190.63 g/mol
Exact Mass190.05
IUPAC Name4-ethyl-1-hydroxy-6-methylpyrimidin-2-one;hydrochloride
SMILESCCc1cc(C)n(O)c(=O)n1.Cl
InChIInChI=1S/C7H10N2O2.ClH/c1-3-6-4-5(2)9(11)7(10)8-6;/h4,11H,3H2,1-2H3;1H
InChIKeyMCQQJBIVECAYRF-UHFFFAOYSA-N
XLogP0.77
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.63
LogP ≤ 50.77
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 4-ethyl-1-hydroxy-6-methylpyrimidin-2-one;hydrochloride?
The IUPAC name of 4-ethyl-1-hydroxy-6-methylpyrimidin-2-one;hydrochloride (CID 90200900) is 4-ethyl-1-hydroxy-6-methylpyrimidin-2-one;hydrochloride.
What is the SMILES notation for 4-ethyl-1-hydroxy-6-methylpyrimidin-2-one;hydrochloride?
The canonical SMILES for 4-ethyl-1-hydroxy-6-methylpyrimidin-2-one;hydrochloride is CCc1cc(C)n(O)c(=O)n1.Cl.
What is the InChIKey of 4-ethyl-1-hydroxy-6-methylpyrimidin-2-one;hydrochloride?
The InChIKey is MCQQJBIVECAYRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2.ClH/c1-3-6-4-5(2)9(11)7(10)8-6;/h4,11H,3H2,1-2H3;1H.
What are the key properties of 4-ethyl-1-hydroxy-6-methylpyrimidin-2-one;hydrochloride?
4-ethyl-1-hydroxy-6-methylpyrimidin-2-one;hydrochloride has a molecular weight of 190.63 g/mol, XLogP of 0.77, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-hydroxy-6-methylpyrimidin-2-one;hydrochloride is sourced from PubChem (CID 90200900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).