6-hydroxy-1,3-diphenylpyrimidin-1-ium-4-one

C16H13N2O2+ — CID 12014866

IUPAC6-hydroxy-1,3-diphenylpyrimidin-1-ium-4-one
SMILESO=c1cc(O)[n+](-c2ccccc2)cn1-c1ccccc1
InChIInChI=1S/C16H12N2O2/c19-15-11-16(20)18(14-9-5-2-6-10-14)12-17(15)13-7-3-1-4-8-13/h1-12H/p+1
InChIKeySDEBIGPDWYBOMZ-UHFFFAOYSA-O
MW265.29 g/mol
LogP1.82
Rot. Bonds2

About 6-hydroxy-1,3-diphenylpyrimidin-1-ium-4-one

6-hydroxy-1,3-diphenylpyrimidin-1-ium-4-one (PubChem CID 12014866) has the molecular formula C16H13N2O2+ and a molecular weight of 265.29 g/mol. Its IUPAC name is 6-hydroxy-1,3-diphenylpyrimidin-1-ium-4-one.

Molecular Properties

Compound Name6-hydroxy-1,3-diphenylpyrimidin-1-ium-4-one
PubChem CID12014866
Molecular FormulaC16H13N2O2+
Molecular Weight265.29 g/mol
Exact Mass265.10
IUPAC Name6-hydroxy-1,3-diphenylpyrimidin-1-ium-4-one
SMILESO=c1cc(O)[n+](-c2ccccc2)cn1-c1ccccc1
InChIInChI=1S/C16H12N2O2/c19-15-11-16(20)18(14-9-5-2-6-10-14)12-17(15)13-7-3-1-4-8-13/h1-12H/p+1
InChIKeySDEBIGPDWYBOMZ-UHFFFAOYSA-O
XLogP1.82
TPSA46.11 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

6-hydroxy-2-imino-1,3-diphenyl-2,3-dihydropyrimidin-4(1H)-one
CID 910704
2-{[1-(2-fluorophenyl)-4-hydroxy-6-oxo-1,6-dihydro-2-pyrimidinyl]thio}-N-methyl-N-phenylacetamide
CID 135402173
6-hydroxy-2-{[2-oxo-2-(1-piperidinyl)ethyl]thio}-3-phenyl-4(3H)-pyrimidinone
CID 135468714
3-Phenyl-3h-pyrimidin-4-one
CID 13741210
1,6-Diphenylhydropyrimidin-4-one
CID 719925
6-Hydroxy-2-(methylthio)-3-phenylpyrimidin-4(3H)-one
CID 135447522
N-ethyl-2-(6-oxo-4-propylpyrimidin-1(6H)-yl)-N-phenylacetamide
CID 44069731
5-Methyl-6-oxo-1,3-diphenylpyrimidin-3-ium-4-olate
CID 13433692
Phenyl-1h-imidazol-5(4h)-one
CID 89553913
6-Hydroxy-2,3-diphenyl-4(3H)-pyrimidinone
CID 135746902
6-Oxo-1-phenyl-2-(phenylamino)-1,6-dihydropyrimidin-4-ol
CID 142771606
6-Oxo-1-phenyl-2-(phenylamino)-1,6-dihydropyrimidine-4-olate sodium
CID 161309550

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-1,3-diphenylpyrimidin-1-ium-4-one?
The IUPAC name of 6-hydroxy-1,3-diphenylpyrimidin-1-ium-4-one (CID 12014866) is 6-hydroxy-1,3-diphenylpyrimidin-1-ium-4-one.
What is the SMILES notation for 6-hydroxy-1,3-diphenylpyrimidin-1-ium-4-one?
The canonical SMILES for 6-hydroxy-1,3-diphenylpyrimidin-1-ium-4-one is O=c1cc(O)[n+](-c2ccccc2)cn1-c1ccccc1.
What is the InChIKey of 6-hydroxy-1,3-diphenylpyrimidin-1-ium-4-one?
The InChIKey is SDEBIGPDWYBOMZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H12N2O2/c19-15-11-16(20)18(14-9-5-2-6-10-14)12-17(15)13-7-3-1-4-8-13/h1-12H/p+1.
What are the key properties of 6-hydroxy-1,3-diphenylpyrimidin-1-ium-4-one?
6-hydroxy-1,3-diphenylpyrimidin-1-ium-4-one has a molecular weight of 265.29 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-1,3-diphenylpyrimidin-1-ium-4-one is sourced from PubChem (CID 12014866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).