1-acetyl-2-ethenyl-6-methylpyrimidin-4-one

C9H10N2O2 — CID 139520427

IUPAC1-acetyl-2-ethenyl-6-methylpyrimidin-4-one
SMILESC=Cc1nc(=O)cc(C)n1C(C)=O
InChIInChI=1S/C9H10N2O2/c1-4-8-10-9(13)5-6(2)11(8)7(3)12/h4-5H,1H2,2-3H3
InChIKeyVFQXCDXQWSSUAN-UHFFFAOYSA-N
MW178.19 g/mol
LogP0.85
Rot. Bonds1

About 1-acetyl-2-ethenyl-6-methylpyrimidin-4-one

1-acetyl-2-ethenyl-6-methylpyrimidin-4-one (PubChem CID 139520427) has the molecular formula C9H10N2O2 and a molecular weight of 178.19 g/mol. Its IUPAC name is 1-acetyl-2-ethenyl-6-methylpyrimidin-4-one.

Molecular Properties

Compound Name1-acetyl-2-ethenyl-6-methylpyrimidin-4-one
PubChem CID139520427
Molecular FormulaC9H10N2O2
Molecular Weight178.19 g/mol
Exact Mass178.07
IUPAC Name1-acetyl-2-ethenyl-6-methylpyrimidin-4-one
SMILESC=Cc1nc(=O)cc(C)n1C(C)=O
InChIInChI=1S/C9H10N2O2/c1-4-8-10-9(13)5-6(2)11(8)7(3)12/h4-5H,1H2,2-3H3
InChIKeyVFQXCDXQWSSUAN-UHFFFAOYSA-N
XLogP0.85
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethenyl-6-methyl-4-oxopyrimidine-1-carbaldehyde
CID 139520422
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CID 56634945
3-acetyl-6-methyl-2-sulfanylidene-1,3-oxazin-4-one
CID 13330916
1-(2,6-dimethyl-7H-pyrrolo[3,2-f]indol-1-yl)ethanone
CID 2748906
1-[2-methyl-5-(trifluoromethyl)indol-1-yl]ethanone
CID 72547489
1-[2-(3-hydroxyphenyl)-4,5-diphenylimidazol-1-yl]ethanone
CID 139841121
ethane;2-ethenyl-4-methyl-1-(2-methylprop-1-enyl)imidazole
CID 177232440
1-(4-amino-2-methylimidazol-1-yl)ethanone
CID 55285933
2-[(4-ethenyl-6-methyl-2-pyridinyl)methylsulfanyl]acetic acid
CID 121316120
3-(1-acetyl-5-methylpyrazol-3-yl)-1H-pyridin-2-one
CID 137148423
5-ethenyl-3-methyl-1-[(1Z)-2-methylbuta-1,3-dienyl]-1,2,4-triazole
CID 170225203
6-formyl-2-methylpyrrolo[3,2-b]pyridine-1-carboxylic acid
CID 122685071

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-2-ethenyl-6-methylpyrimidin-4-one?
The IUPAC name of 1-acetyl-2-ethenyl-6-methylpyrimidin-4-one (CID 139520427) is 1-acetyl-2-ethenyl-6-methylpyrimidin-4-one.
What is the SMILES notation for 1-acetyl-2-ethenyl-6-methylpyrimidin-4-one?
The canonical SMILES for 1-acetyl-2-ethenyl-6-methylpyrimidin-4-one is C=Cc1nc(=O)cc(C)n1C(C)=O.
What is the InChIKey of 1-acetyl-2-ethenyl-6-methylpyrimidin-4-one?
The InChIKey is VFQXCDXQWSSUAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2/c1-4-8-10-9(13)5-6(2)11(8)7(3)12/h4-5H,1H2,2-3H3.
What are the key properties of 1-acetyl-2-ethenyl-6-methylpyrimidin-4-one?
1-acetyl-2-ethenyl-6-methylpyrimidin-4-one has a molecular weight of 178.19 g/mol, XLogP of 0.85, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-2-ethenyl-6-methylpyrimidin-4-one is sourced from PubChem (CID 139520427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).