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

C8H12N2O2 — CID 71468754

IUPAC5-ethyl-1-hydroxy-4,6-dimethylpyrimidin-2-one
SMILESCCc1c(C)nc(=O)n(O)c1C
InChIInChI=1S/C8H12N2O2/c1-4-7-5(2)9-8(11)10(12)6(7)3/h12H,4H2,1-3H3
InChIKeyBESVSKJDXNGMAN-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.66
Rot. Bonds1

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

5-ethyl-1-hydroxy-4,6-dimethylpyrimidin-2-one (PubChem CID 71468754) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 5-ethyl-1-hydroxy-4,6-dimethylpyrimidin-2-one.

Molecular Properties

Compound Name5-ethyl-1-hydroxy-4,6-dimethylpyrimidin-2-one
PubChem CID71468754
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name5-ethyl-1-hydroxy-4,6-dimethylpyrimidin-2-one
SMILESCCc1c(C)nc(=O)n(O)c1C
InChIInChI=1S/C8H12N2O2/c1-4-7-5(2)9-8(11)10(12)6(7)3/h12H,4H2,1-3H3
InChIKeyBESVSKJDXNGMAN-UHFFFAOYSA-N
XLogP0.66
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.66
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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Related Compounds

1-Hydroxy-4,5,6-trimethylpyrimidin-2-one
CID 71468477
1-hydroxy-4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one
CID 71468616
3-Hydroxy-4-methyl-5,6,7,8-tetrahydroquinazolin-2-one
CID 71468618
1-Hydroxy-4,5,6-trimethylpyrimidin-2-one;hydrochloride
CID 90201005
5-Ethyl-1-hydroxy-4,6-dimethylpyrimidin-2-one;hydrochloride
CID 90201097
3-Hydroxy-4-methyl-5,6,7,8-tetrahydroquinazolin-2-one;hydrochloride
CID 90201177
3-hydroxy-4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one;hydrochloride
CID 90201204
3-hydroxy-4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one
CID 90201205
3-hydroxy-4,5,6-trimethyl-1H-pyrimidin-3-ium-2-one
CID 123179100
Tris(5-ethyl-1-hydroxy-4,6-dimethylpyrimidin-2-one);iron
CID 173542312
Tris(1-hydroxy-4,5,6-trimethylpyrimidin-2-one);iron
CID 173542332
Tris(1-hydroxy-4,5,6-trimethylpyrimidin-2-one);iron(3+)
CID 71468476

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-hydroxy-4,6-dimethylpyrimidin-2-one?
The IUPAC name of 5-ethyl-1-hydroxy-4,6-dimethylpyrimidin-2-one (CID 71468754) is 5-ethyl-1-hydroxy-4,6-dimethylpyrimidin-2-one.
What is the SMILES notation for 5-ethyl-1-hydroxy-4,6-dimethylpyrimidin-2-one?
The canonical SMILES for 5-ethyl-1-hydroxy-4,6-dimethylpyrimidin-2-one is CCc1c(C)nc(=O)n(O)c1C.
What is the InChIKey of 5-ethyl-1-hydroxy-4,6-dimethylpyrimidin-2-one?
The InChIKey is BESVSKJDXNGMAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-4-7-5(2)9-8(11)10(12)6(7)3/h12H,4H2,1-3H3.
What are the key properties of 5-ethyl-1-hydroxy-4,6-dimethylpyrimidin-2-one?
5-ethyl-1-hydroxy-4,6-dimethylpyrimidin-2-one has a molecular weight of 168.20 g/mol, XLogP of 0.66, 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 is sourced from PubChem (CID 71468754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).