5-ethenyl-1H-pyrimidin-6-one

C6H6N2O — CID 143422111

IUPAC5-ethenyl-1H-pyrimidin-6-one
SMILESC=Cc1cnc[nH]c1=O
InChIInChI=1S/C6H6N2O/c1-2-5-3-7-4-8-6(5)9/h2-4H,1H2,(H,7,8,9)
InChIKeyGGVWNBBRVNYVDB-UHFFFAOYSA-N
MW122.13 g/mol
LogP0.41
Rot. Bonds1

About 5-ethenyl-1H-pyrimidin-6-one

5-ethenyl-1H-pyrimidin-6-one (PubChem CID 143422111) has the molecular formula C6H6N2O and a molecular weight of 122.13 g/mol. Its IUPAC name is 5-ethenyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-ethenyl-1H-pyrimidin-6-one
PubChem CID143422111
Molecular FormulaC6H6N2O
Molecular Weight122.13 g/mol
Exact Mass122.05
IUPAC Name5-ethenyl-1H-pyrimidin-6-one
SMILESC=Cc1cnc[nH]c1=O
InChIInChI=1S/C6H6N2O/c1-2-5-3-7-4-8-6(5)9/h2-4H,1H2,(H,7,8,9)
InChIKeyGGVWNBBRVNYVDB-UHFFFAOYSA-N
XLogP0.41
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.13
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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5-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-one
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5-(3,3,3-trifluoroprop-1-en-2-yl)-1H-pyrimidin-6-one
CID 133666150
3,5-dimethyl-1H-pyrimidin-3-ium-6-one
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5-propan-2-yl-1H-pyrimidin-6-one
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(Z)-N-methyl-2-methylidene-4-(methyliminomethylamino)but-3-enamide
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(2E)-2-[(methyliminomethylamino)methylidene]but-3-enamide
CID 91045325
2-(6-oxo-1H-pyrimidin-5-yl)acetamide
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Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-1H-pyrimidin-6-one?
The IUPAC name of 5-ethenyl-1H-pyrimidin-6-one (CID 143422111) is 5-ethenyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-ethenyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-ethenyl-1H-pyrimidin-6-one is C=Cc1cnc[nH]c1=O.
What is the InChIKey of 5-ethenyl-1H-pyrimidin-6-one?
The InChIKey is GGVWNBBRVNYVDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O/c1-2-5-3-7-4-8-6(5)9/h2-4H,1H2,(H,7,8,9).
What are the key properties of 5-ethenyl-1H-pyrimidin-6-one?
5-ethenyl-1H-pyrimidin-6-one has a molecular weight of 122.13 g/mol, XLogP of 0.41, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-1H-pyrimidin-6-one is sourced from PubChem (CID 143422111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).