5-ethyl-6-hydroxy-1,2,3-triphenylpyrimidin-1-ium-4-one

C24H21N2O2+ — CID 1037172

IUPAC5-ethyl-6-hydroxy-1,2,3-triphenylpyrimidin-1-ium-4-one
SMILESCCc1c(O)[n+](-c2ccccc2)c(-c2ccccc2)n(-c2ccccc2)c1=O
InChIInChI=1S/C24H20N2O2/c1-2-21-23(27)25(19-14-8-4-9-15-19)22(18-12-6-3-7-13-18)26(24(21)28)20-16-10-5-11-17-20/h3-17H,2H2,1H3/p+1
InChIKeyCHBYIYOKTJYFPG-UHFFFAOYSA-O
MW369.44 g/mol
LogP4.05
Rot. Bonds4

About 5-ethyl-6-hydroxy-1,2,3-triphenylpyrimidin-1-ium-4-one

5-ethyl-6-hydroxy-1,2,3-triphenylpyrimidin-1-ium-4-one (PubChem CID 1037172) has the molecular formula C24H21N2O2+ and a molecular weight of 369.44 g/mol. Its IUPAC name is 5-ethyl-6-hydroxy-1,2,3-triphenylpyrimidin-1-ium-4-one.

Molecular Properties

Compound Name5-ethyl-6-hydroxy-1,2,3-triphenylpyrimidin-1-ium-4-one
PubChem CID1037172
Molecular FormulaC24H21N2O2+
Molecular Weight369.44 g/mol
Exact Mass369.16
IUPAC Name5-ethyl-6-hydroxy-1,2,3-triphenylpyrimidin-1-ium-4-one
SMILESCCc1c(O)[n+](-c2ccccc2)c(-c2ccccc2)n(-c2ccccc2)c1=O
InChIInChI=1S/C24H20N2O2/c1-2-21-23(27)25(19-14-8-4-9-15-19)22(18-12-6-3-7-13-18)26(24(21)28)20-16-10-5-11-17-20/h3-17H,2H2,1H3/p+1
InChIKeyCHBYIYOKTJYFPG-UHFFFAOYSA-O
XLogP4.05
TPSA46.11 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-ethyl-6-hydroxy-1,2,3-triphenylpyrimidin-1-ium-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-ethyl-4-hydroxy-1,6-diphenylpyridin-2-one
CID 54705803
5-ethyl-4-hydroxy-1,3,6-triphenylpyridin-2-one
CID 54686582
3-ethyl-4-hydroxy-1-phenyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-5-ium-2-one
CID 2786378
3-ethyl-4-hydroxy-1-phenylquinolin-2-one
CID 54677985
4-ethyl-2-phenylpyrimido[1,6-a]quinoline-1,3-dione
CID 2784876
5-bromo-1,6-diethyl-3-phenylpyrimidine-2,4-dione
CID 142079218
2-butan-2-ylsulfanyl-5-ethyl-6-hydroxy-3-phenylpyrimidin-4-one
CID 135458838
3-ethyl-4-(methylamino)-1-phenylquinolin-2-one
CID 123908561
2-benzyl-1-hydroxy-4-phenyl-5,6-dihydropyrimido[1,2-a]quinolin-11-ium-3-one
CID 110272969
4-phenyl-1-propanoyl-1,2,4-triazolidine-3,5-dione
CID 101118935
ethyl 3-imino-2-(1,4,5-triphenyl-1,2,4-triazol-4-ium-3-yl)prop-2-enoate
CID 135623024
2-ethyl-6-methyl-1,5-diphenylpyrimidin-4-one
CID 776578

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-6-hydroxy-1,2,3-triphenylpyrimidin-1-ium-4-one?
The IUPAC name of 5-ethyl-6-hydroxy-1,2,3-triphenylpyrimidin-1-ium-4-one (CID 1037172) is 5-ethyl-6-hydroxy-1,2,3-triphenylpyrimidin-1-ium-4-one.
What is the SMILES notation for 5-ethyl-6-hydroxy-1,2,3-triphenylpyrimidin-1-ium-4-one?
The canonical SMILES for 5-ethyl-6-hydroxy-1,2,3-triphenylpyrimidin-1-ium-4-one is CCc1c(O)[n+](-c2ccccc2)c(-c2ccccc2)n(-c2ccccc2)c1=O.
What is the InChIKey of 5-ethyl-6-hydroxy-1,2,3-triphenylpyrimidin-1-ium-4-one?
The InChIKey is CHBYIYOKTJYFPG-UHFFFAOYSA-O. The full InChI is InChI=1S/C24H20N2O2/c1-2-21-23(27)25(19-14-8-4-9-15-19)22(18-12-6-3-7-13-18)26(24(21)28)20-16-10-5-11-17-20/h3-17H,2H2,1H3/p+1.
What are the key properties of 5-ethyl-6-hydroxy-1,2,3-triphenylpyrimidin-1-ium-4-one?
5-ethyl-6-hydroxy-1,2,3-triphenylpyrimidin-1-ium-4-one has a molecular weight of 369.44 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-6-hydroxy-1,2,3-triphenylpyrimidin-1-ium-4-one is sourced from PubChem (CID 1037172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).