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

C8H13ClN2O2 — CID 90201097

IUPAC5-ethyl-1-hydroxy-4,6-dimethylpyrimidin-2-one;hydrochloride
SMILESCCc1c(C)nc(=O)n(O)c1C.Cl
InChIInChI=1S/C8H12N2O2.ClH/c1-4-7-5(2)9-8(11)10(12)6(7)3;/h12H,4H2,1-3H3;1H
InChIKeyBXVYXWMTDZLYKG-UHFFFAOYSA-N
MW204.66 g/mol
LogP1.08
Rot. Bonds1

About 5-ethyl-1-hydroxy-4,6-dimethylpyrimidin-2-one;hydrochloride

5-ethyl-1-hydroxy-4,6-dimethylpyrimidin-2-one;hydrochloride (PubChem CID 90201097) has the molecular formula C8H13ClN2O2 and a molecular weight of 204.66 g/mol. Its IUPAC name is 5-ethyl-1-hydroxy-4,6-dimethylpyrimidin-2-one;hydrochloride.

Molecular Properties

Compound Name5-ethyl-1-hydroxy-4,6-dimethylpyrimidin-2-one;hydrochloride
PubChem CID90201097
Molecular FormulaC8H13ClN2O2
Molecular Weight204.66 g/mol
Exact Mass204.07
IUPAC Name5-ethyl-1-hydroxy-4,6-dimethylpyrimidin-2-one;hydrochloride
SMILESCCc1c(C)nc(=O)n(O)c1C.Cl
InChIInChI=1S/C8H12N2O2.ClH/c1-4-7-5(2)9-8(11)10(12)6(7)3;/h12H,4H2,1-3H3;1H
InChIKeyBXVYXWMTDZLYKG-UHFFFAOYSA-N
XLogP1.08
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.66
LogP ≤ 51.08
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 5-ethyl-1-hydroxy-4,6-dimethylpyrimidin-2-one;hydrochloride?
The IUPAC name of 5-ethyl-1-hydroxy-4,6-dimethylpyrimidin-2-one;hydrochloride (CID 90201097) is 5-ethyl-1-hydroxy-4,6-dimethylpyrimidin-2-one;hydrochloride.
What is the SMILES notation for 5-ethyl-1-hydroxy-4,6-dimethylpyrimidin-2-one;hydrochloride?
The canonical SMILES for 5-ethyl-1-hydroxy-4,6-dimethylpyrimidin-2-one;hydrochloride is CCc1c(C)nc(=O)n(O)c1C.Cl.
What is the InChIKey of 5-ethyl-1-hydroxy-4,6-dimethylpyrimidin-2-one;hydrochloride?
The InChIKey is BXVYXWMTDZLYKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2.ClH/c1-4-7-5(2)9-8(11)10(12)6(7)3;/h12H,4H2,1-3H3;1H.
What are the key properties of 5-ethyl-1-hydroxy-4,6-dimethylpyrimidin-2-one;hydrochloride?
5-ethyl-1-hydroxy-4,6-dimethylpyrimidin-2-one;hydrochloride has a molecular weight of 204.66 g/mol, XLogP of 1.08, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-hydroxy-4,6-dimethylpyrimidin-2-one;hydrochloride is sourced from PubChem (CID 90201097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).