5-ethenyl-1,4-dimethylpyrimidin-2-one

C8H10N2O — CID 54405450

IUPAC5-ethenyl-1,4-dimethylpyrimidin-2-one
SMILESC=Cc1cn(C)c(=O)nc1C
InChIInChI=1S/C8H10N2O/c1-4-7-5-10(3)8(11)9-6(7)2/h4-5H,1H2,2-3H3
InChIKeyVQJBDBIMIVKZMH-UHFFFAOYSA-N
MW150.18 g/mol
LogP0.73
Rot. Bonds1

About 5-ethenyl-1,4-dimethylpyrimidin-2-one

5-ethenyl-1,4-dimethylpyrimidin-2-one (PubChem CID 54405450) has the molecular formula C8H10N2O and a molecular weight of 150.18 g/mol. Its IUPAC name is 5-ethenyl-1,4-dimethylpyrimidin-2-one.

Molecular Properties

Compound Name5-ethenyl-1,4-dimethylpyrimidin-2-one
PubChem CID54405450
Molecular FormulaC8H10N2O
Molecular Weight150.18 g/mol
Exact Mass150.08
IUPAC Name5-ethenyl-1,4-dimethylpyrimidin-2-one
SMILESC=Cc1cn(C)c(=O)nc1C
InChIInChI=1S/C8H10N2O/c1-4-7-5-10(3)8(11)9-6(7)2/h4-5H,1H2,2-3H3
InChIKeyVQJBDBIMIVKZMH-UHFFFAOYSA-N
XLogP0.73
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-1,4-dimethylpyrimidin-2-one?
The IUPAC name of 5-ethenyl-1,4-dimethylpyrimidin-2-one (CID 54405450) is 5-ethenyl-1,4-dimethylpyrimidin-2-one.
What is the SMILES notation for 5-ethenyl-1,4-dimethylpyrimidin-2-one?
The canonical SMILES for 5-ethenyl-1,4-dimethylpyrimidin-2-one is C=Cc1cn(C)c(=O)nc1C.
What is the InChIKey of 5-ethenyl-1,4-dimethylpyrimidin-2-one?
The InChIKey is VQJBDBIMIVKZMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O/c1-4-7-5-10(3)8(11)9-6(7)2/h4-5H,1H2,2-3H3.
What are the key properties of 5-ethenyl-1,4-dimethylpyrimidin-2-one?
5-ethenyl-1,4-dimethylpyrimidin-2-one has a molecular weight of 150.18 g/mol, XLogP of 0.73, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-1,4-dimethylpyrimidin-2-one is sourced from PubChem (CID 54405450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).