1,6-diphenylpyrimidin-4-one

C16H12N2O — CID 719925

IUPAC1,6-diphenylpyrimidin-4-one
SMILESO=c1cc(-c2ccccc2)n(-c2ccccc2)cn1
InChIInChI=1S/C16H12N2O/c19-16-11-15(13-7-3-1-4-8-13)18(12-17-16)14-9-5-2-6-10-14/h1-12H
InChIKeyWPMMBTQAGSOBFX-UHFFFAOYSA-N
MW248.29 g/mol
LogP2.90
Rot. Bonds2

About 1,6-diphenylpyrimidin-4-one

1,6-diphenylpyrimidin-4-one (PubChem CID 719925) has the molecular formula C16H12N2O and a molecular weight of 248.29 g/mol. Its IUPAC name is 1,6-diphenylpyrimidin-4-one.

Molecular Properties

Compound Name1,6-diphenylpyrimidin-4-one
PubChem CID719925
Molecular FormulaC16H12N2O
Molecular Weight248.29 g/mol
Exact Mass248.09
IUPAC Name1,6-diphenylpyrimidin-4-one
SMILESO=c1cc(-c2ccccc2)n(-c2ccccc2)cn1
InChIInChI=1S/C16H12N2O/c19-16-11-15(13-7-3-1-4-8-13)18(12-17-16)14-9-5-2-6-10-14/h1-12H
InChIKeyWPMMBTQAGSOBFX-UHFFFAOYSA-N
XLogP2.90
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,6-diphenylpyrimidin-4-one?
The IUPAC name of 1,6-diphenylpyrimidin-4-one (CID 719925) is 1,6-diphenylpyrimidin-4-one.
What is the SMILES notation for 1,6-diphenylpyrimidin-4-one?
The canonical SMILES for 1,6-diphenylpyrimidin-4-one is O=c1cc(-c2ccccc2)n(-c2ccccc2)cn1.
What is the InChIKey of 1,6-diphenylpyrimidin-4-one?
The InChIKey is WPMMBTQAGSOBFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O/c19-16-11-15(13-7-3-1-4-8-13)18(12-17-16)14-9-5-2-6-10-14/h1-12H.
What are the key properties of 1,6-diphenylpyrimidin-4-one?
1,6-diphenylpyrimidin-4-one has a molecular weight of 248.29 g/mol, XLogP of 2.90, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-diphenylpyrimidin-4-one is sourced from PubChem (CID 719925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).