2,5-diphenyl-1H-pyrimidin-6-one

C16H12N2O — CID 19917995

IUPAC2,5-diphenyl-1H-pyrimidin-6-one
SMILESO=c1[nH]c(-c2ccccc2)ncc1-c1ccccc1
InChIInChI=1S/C16H12N2O/c19-16-14(12-7-3-1-4-8-12)11-17-15(18-16)13-9-5-2-6-10-13/h1-11H,(H,17,18,19)
InChIKeyGIECBAMIEKUYSX-UHFFFAOYSA-N
MW248.29 g/mol
LogP3.10
Rot. Bonds2

About 2,5-diphenyl-1H-pyrimidin-6-one

2,5-diphenyl-1H-pyrimidin-6-one (PubChem CID 19917995) has the molecular formula C16H12N2O and a molecular weight of 248.29 g/mol. Its IUPAC name is 2,5-diphenyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2,5-diphenyl-1H-pyrimidin-6-one
PubChem CID19917995
Molecular FormulaC16H12N2O
Molecular Weight248.29 g/mol
Exact Mass248.09
IUPAC Name2,5-diphenyl-1H-pyrimidin-6-one
SMILESO=c1[nH]c(-c2ccccc2)ncc1-c1ccccc1
InChIInChI=1S/C16H12N2O/c19-16-14(12-7-3-1-4-8-12)11-17-15(18-16)13-9-5-2-6-10-13/h1-11H,(H,17,18,19)
InChIKeyGIECBAMIEKUYSX-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 2,5-diphenyl-1H-pyrimidin-6-one?
The IUPAC name of 2,5-diphenyl-1H-pyrimidin-6-one (CID 19917995) is 2,5-diphenyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2,5-diphenyl-1H-pyrimidin-6-one?
The canonical SMILES for 2,5-diphenyl-1H-pyrimidin-6-one is O=c1[nH]c(-c2ccccc2)ncc1-c1ccccc1.
What is the InChIKey of 2,5-diphenyl-1H-pyrimidin-6-one?
The InChIKey is GIECBAMIEKUYSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O/c19-16-14(12-7-3-1-4-8-12)11-17-15(18-16)13-9-5-2-6-10-13/h1-11H,(H,17,18,19).
What are the key properties of 2,5-diphenyl-1H-pyrimidin-6-one?
2,5-diphenyl-1H-pyrimidin-6-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 2,5-diphenyl-1H-pyrimidin-6-one is sourced from PubChem (CID 19917995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).