(4-hydroxy-6-oxo-1,2-diphenylpyrimidin-5-yl)-phenyliodanium

C22H16IN2O2+ — CID 135746903

IUPAC(4-hydroxy-6-oxo-1,2-diphenylpyrimidin-5-yl)-phenyliodanium
SMILESO=c1c([I+]c2ccccc2)c(O)nc(-c2ccccc2)n1-c1ccccc1
InChIInChI=1S/C22H15IN2O2/c26-21-19(23-17-12-6-2-7-13-17)22(27)25(18-14-8-3-9-15-18)20(24-21)16-10-4-1-5-11-16/h1-15H/p+1
InChIKeyXWVHUTNOFANHGW-UHFFFAOYSA-O
MW467.29 g/mol
LogP0.73
Rot. Bonds4

About (4-hydroxy-6-oxo-1,2-diphenylpyrimidin-5-yl)-phenyliodanium

(4-hydroxy-6-oxo-1,2-diphenylpyrimidin-5-yl)-phenyliodanium (PubChem CID 135746903) has the molecular formula C22H16IN2O2+ and a molecular weight of 467.29 g/mol. Its IUPAC name is (4-hydroxy-6-oxo-1,2-diphenylpyrimidin-5-yl)-phenyliodanium.

Molecular Properties

Compound Name(4-hydroxy-6-oxo-1,2-diphenylpyrimidin-5-yl)-phenyliodanium
PubChem CID135746903
Molecular FormulaC22H16IN2O2+
Molecular Weight467.29 g/mol
Exact Mass467.03
IUPAC Name(4-hydroxy-6-oxo-1,2-diphenylpyrimidin-5-yl)-phenyliodanium
SMILESO=c1c([I+]c2ccccc2)c(O)nc(-c2ccccc2)n1-c1ccccc1
InChIInChI=1S/C22H15IN2O2/c26-21-19(23-17-12-6-2-7-13-17)22(27)25(18-14-8-3-9-15-18)20(24-21)16-10-4-1-5-11-16/h1-15H/p+1
InChIKeyXWVHUTNOFANHGW-UHFFFAOYSA-O
XLogP0.73
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.29
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-phenylphenyl)-3-pyridin-4-ylquinazolin-4-one
CID 1047183
(4-hydroxy-6-oxo-1,2-diphenylpyrimidin-5-yl) N,N-diethylcarbamodithioate
CID 135419379
3-[3,5-bis(4-oxo-2-phenylquinazolin-3-yl)phenyl]-2-phenylquinazolin-4-one
CID 121247436
2-[3-(4-oxo-3-phenylquinazolin-2-yl)-5-phenylphenyl]-3-phenylquinazolin-4-one
CID 121247434
3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylquinazolin-4-one
CID 121247655
3-phenyl-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]quinazolin-4-one
CID 121247662
2,3-diphenyl-6-tetraphenylen-2-ylquinazolin-4-one
CID 121247322
2-[3,5-bis(4-oxo-3-phenylquinazolin-2-yl)phenyl]-3-phenylquinazolin-4-one;2-[3-(4-oxo-3-phenylquinazolin-2-yl)-5-phenylphenyl]-3-phenylquinazolin-4-one;2-[3-(4-oxo-3-phenylquinazolin-2-yl)phenyl]-3-phenylquinazolin-4-one
CID 157300729
2,3,6-triphenylpyrimidin-4-one
CID 13280772
3-(3-hydroxyphenyl)-2-(4-methylphenyl)quinazolin-4-one
CID 717898
3-(4-methoxyphenyl)-2-phenylquinazolin-4-one
CID 708934
ethane;2-(3-methylphenyl)-3-phenylquinazolin-4-one
CID 142888475

Frequently Asked Questions

What is the IUPAC name of (4-hydroxy-6-oxo-1,2-diphenylpyrimidin-5-yl)-phenyliodanium?
The IUPAC name of (4-hydroxy-6-oxo-1,2-diphenylpyrimidin-5-yl)-phenyliodanium (CID 135746903) is (4-hydroxy-6-oxo-1,2-diphenylpyrimidin-5-yl)-phenyliodanium.
What is the SMILES notation for (4-hydroxy-6-oxo-1,2-diphenylpyrimidin-5-yl)-phenyliodanium?
The canonical SMILES for (4-hydroxy-6-oxo-1,2-diphenylpyrimidin-5-yl)-phenyliodanium is O=c1c([I+]c2ccccc2)c(O)nc(-c2ccccc2)n1-c1ccccc1.
What is the InChIKey of (4-hydroxy-6-oxo-1,2-diphenylpyrimidin-5-yl)-phenyliodanium?
The InChIKey is XWVHUTNOFANHGW-UHFFFAOYSA-O. The full InChI is InChI=1S/C22H15IN2O2/c26-21-19(23-17-12-6-2-7-13-17)22(27)25(18-14-8-3-9-15-18)20(24-21)16-10-4-1-5-11-16/h1-15H/p+1.
What are the key properties of (4-hydroxy-6-oxo-1,2-diphenylpyrimidin-5-yl)-phenyliodanium?
(4-hydroxy-6-oxo-1,2-diphenylpyrimidin-5-yl)-phenyliodanium has a molecular weight of 467.29 g/mol, XLogP of 0.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxy-6-oxo-1,2-diphenylpyrimidin-5-yl)-phenyliodanium is sourced from PubChem (CID 135746903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).