5-methyl-2-phenyl-3-prop-2-enylpyrimidin-4-one

C14H14N2O — CID 142016794

IUPAC5-methyl-2-phenyl-3-prop-2-enylpyrimidin-4-one
SMILESC=CCn1c(-c2ccccc2)ncc(C)c1=O
InChIInChI=1S/C14H14N2O/c1-3-9-16-13(12-7-5-4-6-8-12)15-10-11(2)14(16)17/h3-8,10H,1,9H2,2H3
InChIKeyGYEFEXWGXOCRBV-UHFFFAOYSA-N
MW226.28 g/mol
LogP2.40
Rot. Bonds3

About 5-methyl-2-phenyl-3-prop-2-enylpyrimidin-4-one

5-methyl-2-phenyl-3-prop-2-enylpyrimidin-4-one (PubChem CID 142016794) has the molecular formula C14H14N2O and a molecular weight of 226.28 g/mol. Its IUPAC name is 5-methyl-2-phenyl-3-prop-2-enylpyrimidin-4-one.

Molecular Properties

Compound Name5-methyl-2-phenyl-3-prop-2-enylpyrimidin-4-one
PubChem CID142016794
Molecular FormulaC14H14N2O
Molecular Weight226.28 g/mol
Exact Mass226.11
IUPAC Name5-methyl-2-phenyl-3-prop-2-enylpyrimidin-4-one
SMILESC=CCn1c(-c2ccccc2)ncc(C)c1=O
InChIInChI=1S/C14H14N2O/c1-3-9-16-13(12-7-5-4-6-8-12)15-10-11(2)14(16)17/h3-8,10H,1,9H2,2H3
InChIKeyGYEFEXWGXOCRBV-UHFFFAOYSA-N
XLogP2.40
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-phenyl-3-prop-2-enylpyrimidin-4-one?
The IUPAC name of 5-methyl-2-phenyl-3-prop-2-enylpyrimidin-4-one (CID 142016794) is 5-methyl-2-phenyl-3-prop-2-enylpyrimidin-4-one.
What is the SMILES notation for 5-methyl-2-phenyl-3-prop-2-enylpyrimidin-4-one?
The canonical SMILES for 5-methyl-2-phenyl-3-prop-2-enylpyrimidin-4-one is C=CCn1c(-c2ccccc2)ncc(C)c1=O.
What is the InChIKey of 5-methyl-2-phenyl-3-prop-2-enylpyrimidin-4-one?
The InChIKey is GYEFEXWGXOCRBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O/c1-3-9-16-13(12-7-5-4-6-8-12)15-10-11(2)14(16)17/h3-8,10H,1,9H2,2H3.
What are the key properties of 5-methyl-2-phenyl-3-prop-2-enylpyrimidin-4-one?
5-methyl-2-phenyl-3-prop-2-enylpyrimidin-4-one has a molecular weight of 226.28 g/mol, XLogP of 2.40, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-phenyl-3-prop-2-enylpyrimidin-4-one is sourced from PubChem (CID 142016794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).