4,6-diphenyl-1-prop-2-enylpyrimidin-2-one

C19H16N2O — CID 848830

IUPAC4,6-diphenyl-1-prop-2-enylpyrimidin-2-one
SMILESC=CCn1c(-c2ccccc2)cc(-c2ccccc2)nc1=O
InChIInChI=1S/C19H16N2O/c1-2-13-21-18(16-11-7-4-8-12-16)14-17(20-19(21)22)15-9-5-3-6-10-15/h2-12,14H,1,13H2
InChIKeyGJNFZFHPHWCEGN-UHFFFAOYSA-N
MW288.35 g/mol
LogP3.76
Rot. Bonds4

About 4,6-diphenyl-1-prop-2-enylpyrimidin-2-one

4,6-diphenyl-1-prop-2-enylpyrimidin-2-one (PubChem CID 848830) has the molecular formula C19H16N2O and a molecular weight of 288.35 g/mol. Its IUPAC name is 4,6-diphenyl-1-prop-2-enylpyrimidin-2-one.

Molecular Properties

Compound Name4,6-diphenyl-1-prop-2-enylpyrimidin-2-one
PubChem CID848830
Molecular FormulaC19H16N2O
Molecular Weight288.35 g/mol
Exact Mass288.13
IUPAC Name4,6-diphenyl-1-prop-2-enylpyrimidin-2-one
SMILESC=CCn1c(-c2ccccc2)cc(-c2ccccc2)nc1=O
InChIInChI=1S/C19H16N2O/c1-2-13-21-18(16-11-7-4-8-12-16)14-17(20-19(21)22)15-9-5-3-6-10-15/h2-12,14H,1,13H2
InChIKeyGJNFZFHPHWCEGN-UHFFFAOYSA-N
XLogP3.76
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 53.76
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 4,6-diphenyl-1-prop-2-enylpyrimidin-2-one?
The IUPAC name of 4,6-diphenyl-1-prop-2-enylpyrimidin-2-one (CID 848830) is 4,6-diphenyl-1-prop-2-enylpyrimidin-2-one.
What is the SMILES notation for 4,6-diphenyl-1-prop-2-enylpyrimidin-2-one?
The canonical SMILES for 4,6-diphenyl-1-prop-2-enylpyrimidin-2-one is C=CCn1c(-c2ccccc2)cc(-c2ccccc2)nc1=O.
What is the InChIKey of 4,6-diphenyl-1-prop-2-enylpyrimidin-2-one?
The InChIKey is GJNFZFHPHWCEGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O/c1-2-13-21-18(16-11-7-4-8-12-16)14-17(20-19(21)22)15-9-5-3-6-10-15/h2-12,14H,1,13H2.
What are the key properties of 4,6-diphenyl-1-prop-2-enylpyrimidin-2-one?
4,6-diphenyl-1-prop-2-enylpyrimidin-2-one has a molecular weight of 288.35 g/mol, XLogP of 3.76, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-diphenyl-1-prop-2-enylpyrimidin-2-one is sourced from PubChem (CID 848830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).