3-ethenylpyrimidin-4-one

C6H6N2O — CID 159398971

IUPAC3-ethenylpyrimidin-4-one
SMILESC=Cn1cnccc1=O
InChIInChI=1S/C6H6N2O/c1-2-8-5-7-4-3-6(8)9/h2-5H,1H2
InChIKeyLNCCQEJXEDGVHC-UHFFFAOYSA-N
MW122.13 g/mol
LogP0.34
Rot. Bonds1

About 3-ethenylpyrimidin-4-one

3-ethenylpyrimidin-4-one (PubChem CID 159398971) has the molecular formula C6H6N2O and a molecular weight of 122.13 g/mol. Its IUPAC name is 3-ethenylpyrimidin-4-one.

Molecular Properties

Compound Name3-ethenylpyrimidin-4-one
PubChem CID159398971
Molecular FormulaC6H6N2O
Molecular Weight122.13 g/mol
Exact Mass122.05
IUPAC Name3-ethenylpyrimidin-4-one
SMILESC=Cn1cnccc1=O
InChIInChI=1S/C6H6N2O/c1-2-8-5-7-4-3-6(8)9/h2-5H,1H2
InChIKeyLNCCQEJXEDGVHC-UHFFFAOYSA-N
XLogP0.34
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.13
LogP ≤ 50.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-Hydroxypyrimidine
CID 20695
6-Amino-3-methyl-3,4-dihydropyrimidin-4-one
CID 580359
3-methylpyrimidin-4(3H)-one
CID 301417
1-Methyl-4(1H)-pyrimidinone
CID 292249
2-Amino-3-methyl-3,4-dihydropyrimidin-4-one
CID 10313133
2-Amino-1-methyl-1,4-dihydropyrimidin-4-one
CID 55281490
5-Fluoro-3-methylpyrimidin-4(3H)-one
CID 21602096
Pyrimidine, 2-dimethylamino-1,6-dihydro-1-methyl-6-oxo-
CID 21854538
2-Methoxy-3-methyl-4(3H)-pyrimidinone
CID 21577889
1-Ethylpyrimidin-4-one
CID 426506
2-(6-Oxo-1,6-dihydropyrimidin-1-yl)acetonitrile
CID 45087635
6-Fluoro-3-methyl-4-pyrimidinone
CID 129719242

Frequently Asked Questions

What is the IUPAC name of 3-ethenylpyrimidin-4-one?
The IUPAC name of 3-ethenylpyrimidin-4-one (CID 159398971) is 3-ethenylpyrimidin-4-one.
What is the SMILES notation for 3-ethenylpyrimidin-4-one?
The canonical SMILES for 3-ethenylpyrimidin-4-one is C=Cn1cnccc1=O.
What is the InChIKey of 3-ethenylpyrimidin-4-one?
The InChIKey is LNCCQEJXEDGVHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O/c1-2-8-5-7-4-3-6(8)9/h2-5H,1H2.
What are the key properties of 3-ethenylpyrimidin-4-one?
3-ethenylpyrimidin-4-one has a molecular weight of 122.13 g/mol, XLogP of 0.34, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenylpyrimidin-4-one is sourced from PubChem (CID 159398971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).