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

C16H12N2O — CID 135475560

IUPAC2,4-diphenyl-1H-pyrimidin-6-one
SMILESO=c1cc(-c2ccccc2)nc(-c2ccccc2)[nH]1
InChIInChI=1S/C16H12N2O/c19-15-11-14(12-7-3-1-4-8-12)17-16(18-15)13-9-5-2-6-10-13/h1-11H,(H,17,18,19)
InChIKeyXRSLJJMPKREAES-UHFFFAOYSA-N
MW248.29 g/mol
LogP3.10
Rot. Bonds2

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

2,4-diphenyl-1H-pyrimidin-6-one (PubChem CID 135475560) has the molecular formula C16H12N2O and a molecular weight of 248.29 g/mol. Its IUPAC name is 2,4-diphenyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2,4-diphenyl-1H-pyrimidin-6-one
PubChem CID135475560
Molecular FormulaC16H12N2O
Molecular Weight248.29 g/mol
Exact Mass248.09
IUPAC Name2,4-diphenyl-1H-pyrimidin-6-one
SMILESO=c1cc(-c2ccccc2)nc(-c2ccccc2)[nH]1
InChIInChI=1S/C16H12N2O/c19-15-11-14(12-7-3-1-4-8-12)17-16(18-15)13-9-5-2-6-10-13/h1-11H,(H,17,18,19)
InChIKeyXRSLJJMPKREAES-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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Related Compounds

2-Methyl-6-phenyl-4-pyrimidinol
CID 135443077
6-Methyl-2-phenylpyrimidin-4-ol
CID 135448999
2-(4-Chlorophenyl)-6-methyl-4-pyrimidinol
CID 135473093
6-Methyl-2-(4-(trifluoromethyl)phenyl)pyrimidin-4-ol
CID 135435537
2-Phenylpyrimidine-4,6-diol
CID 241011
2-Phenylpyrimidin-4-ol
CID 259156
3,5-diphenyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7(4H)-one
CID 2810970
5-methyl-2,3-diphenylpyrazolo[1,5-a]pyrimidin-7(4H)-one
CID 5039735
5-ethyl-2,3-diphenylpyrazolo[1,5-a]pyrimidin-7(4H)-one
CID 17584764
(5Z)-5-(4-fluorobenzylidene)-2-(4-methylphenyl)-3,5-dihydro-4H-imidazol-4-one
CID 135517621
5-(4-fluorophenyl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7(4H)-one
CID 7339688
5,6-Diamino-2-phenylpyrimidin-4(3H)-one
CID 135401368

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-1H-pyrimidin-6-one?
The IUPAC name of 2,4-diphenyl-1H-pyrimidin-6-one (CID 135475560) is 2,4-diphenyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2,4-diphenyl-1H-pyrimidin-6-one?
The canonical SMILES for 2,4-diphenyl-1H-pyrimidin-6-one is O=c1cc(-c2ccccc2)nc(-c2ccccc2)[nH]1.
What is the InChIKey of 2,4-diphenyl-1H-pyrimidin-6-one?
The InChIKey is XRSLJJMPKREAES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O/c19-15-11-14(12-7-3-1-4-8-12)17-16(18-15)13-9-5-2-6-10-13/h1-11H,(H,17,18,19).
What are the key properties of 2,4-diphenyl-1H-pyrimidin-6-one?
2,4-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 2,4-diphenyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135475560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).