4,6-diphenyl-1H-pyrimidin-2-one

C16H12N2O — CID 619028

IUPAC4,6-diphenyl-1H-pyrimidin-2-one
SMILESO=c1nc(-c2ccccc2)cc(-c2ccccc2)[nH]1
InChIInChI=1S/C16H12N2O/c19-16-17-14(12-7-3-1-4-8-12)11-15(18-16)13-9-5-2-6-10-13/h1-11H,(H,17,18,19)
InChIKeyHVTASVIOKKMCLW-UHFFFAOYSA-N
MW248.29 g/mol
LogP3.10
Rot. Bonds2

About 4,6-diphenyl-1H-pyrimidin-2-one

4,6-diphenyl-1H-pyrimidin-2-one (PubChem CID 619028) has the molecular formula C16H12N2O and a molecular weight of 248.29 g/mol. Its IUPAC name is 4,6-diphenyl-1H-pyrimidin-2-one.

Molecular Properties

Compound Name4,6-diphenyl-1H-pyrimidin-2-one
PubChem CID619028
Molecular FormulaC16H12N2O
Molecular Weight248.29 g/mol
Exact Mass248.09
IUPAC Name4,6-diphenyl-1H-pyrimidin-2-one
SMILESO=c1nc(-c2ccccc2)cc(-c2ccccc2)[nH]1
InChIInChI=1S/C16H12N2O/c19-16-17-14(12-7-3-1-4-8-12)11-15(18-16)13-9-5-2-6-10-13/h1-11H,(H,17,18,19)
InChIKeyHVTASVIOKKMCLW-UHFFFAOYSA-N
XLogP3.10
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,6-diphenyl-1H-pyrimidin-2-one?
The IUPAC name of 4,6-diphenyl-1H-pyrimidin-2-one (CID 619028) is 4,6-diphenyl-1H-pyrimidin-2-one.
What is the SMILES notation for 4,6-diphenyl-1H-pyrimidin-2-one?
The canonical SMILES for 4,6-diphenyl-1H-pyrimidin-2-one is O=c1nc(-c2ccccc2)cc(-c2ccccc2)[nH]1.
What is the InChIKey of 4,6-diphenyl-1H-pyrimidin-2-one?
The InChIKey is HVTASVIOKKMCLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O/c19-16-17-14(12-7-3-1-4-8-12)11-15(18-16)13-9-5-2-6-10-13/h1-11H,(H,17,18,19).
What are the key properties of 4,6-diphenyl-1H-pyrimidin-2-one?
4,6-diphenyl-1H-pyrimidin-2-one has a molecular weight of 248.29 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-diphenyl-1H-pyrimidin-2-one is sourced from PubChem (CID 619028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).