2,3,6-triphenylpyrimidin-4-one

C22H16N2O — CID 13280772

IUPAC2,3,6-triphenylpyrimidin-4-one
SMILESO=c1cc(-c2ccccc2)nc(-c2ccccc2)n1-c1ccccc1
InChIInChI=1S/C22H16N2O/c25-21-16-20(17-10-4-1-5-11-17)23-22(18-12-6-2-7-13-18)24(21)19-14-8-3-9-15-19/h1-16H
InChIKeyBNTVWPLZCIKKTM-UHFFFAOYSA-N
MW324.38 g/mol
LogP4.57
Rot. Bonds3

About 2,3,6-triphenylpyrimidin-4-one

2,3,6-triphenylpyrimidin-4-one (PubChem CID 13280772) has the molecular formula C22H16N2O and a molecular weight of 324.38 g/mol. Its IUPAC name is 2,3,6-triphenylpyrimidin-4-one.

Molecular Properties

Compound Name2,3,6-triphenylpyrimidin-4-one
PubChem CID13280772
Molecular FormulaC22H16N2O
Molecular Weight324.38 g/mol
Exact Mass324.13
IUPAC Name2,3,6-triphenylpyrimidin-4-one
SMILESO=c1cc(-c2ccccc2)nc(-c2ccccc2)n1-c1ccccc1
InChIInChI=1S/C22H16N2O/c25-21-16-20(17-10-4-1-5-11-17)23-22(18-12-6-2-7-13-18)24(21)19-14-8-3-9-15-19/h1-16H
InChIKeyBNTVWPLZCIKKTM-UHFFFAOYSA-N
XLogP4.57
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-diphenyl-6-(trifluoromethyl)pyrimidin-4-one
CID 59120436
3-(5-chloro-2-methylphenyl)-2,6-diphenylpyrimidin-4-one
CID 13280782
2,3-diphenyl-6-piperidin-1-ylpyrimidin-4-one
CID 15632926
3-[4-(5-oxo-4-phenyl-1H-1,2,4-triazol-3-yl)phenyl]-4-phenyl-1H-1,2,4-triazol-5-one
CID 11280919
2,6-dimethyl-3-phenylpyrimidin-4-one
CID 608225
1,2-diphenylcyclohepta[d]imidazol-4-one
CID 10017572
1-(1,3-diphenylpyrazol-5-yl)-2-phenylbenzimidazole
CID 2834406
6-methyl-2,3-diphenyl-5-[(E)-2-(2-phenylquinolin-4-yl)ethenyl]pyrimidin-4-one
CID 102405292
(6-oxo-1,2-diphenylpyrimidin-4-yl) 2,4-dichlorobenzoate
CID 3430707
5-iodo-6-methyl-1,3-diphenylpyrazin-2-one
CID 86053721
1,4,6-triphenylpyridin-2-one
CID 629600
2-(2,6-diphenyl-4-pyridinyl)-8,14,20,26-tetraphenyl-2,8,14,20,26-pentazahexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(30),3,5,7(35),9,11,13(34),15(33),16,18,21(32),22,24,27(31),28-pentadecaene
CID 123806675

Frequently Asked Questions

What is the IUPAC name of 2,3,6-triphenylpyrimidin-4-one?
The IUPAC name of 2,3,6-triphenylpyrimidin-4-one (CID 13280772) is 2,3,6-triphenylpyrimidin-4-one.
What is the SMILES notation for 2,3,6-triphenylpyrimidin-4-one?
The canonical SMILES for 2,3,6-triphenylpyrimidin-4-one is O=c1cc(-c2ccccc2)nc(-c2ccccc2)n1-c1ccccc1.
What is the InChIKey of 2,3,6-triphenylpyrimidin-4-one?
The InChIKey is BNTVWPLZCIKKTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2O/c25-21-16-20(17-10-4-1-5-11-17)23-22(18-12-6-2-7-13-18)24(21)19-14-8-3-9-15-19/h1-16H.
What are the key properties of 2,3,6-triphenylpyrimidin-4-one?
2,3,6-triphenylpyrimidin-4-one has a molecular weight of 324.38 g/mol, XLogP of 4.57, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,6-triphenylpyrimidin-4-one is sourced from PubChem (CID 13280772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).