1-[4-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)phenyl]ethanone

C23H17N3O — CID 164780913

IUPAC1-[4-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)phenyl]ethanone
SMILESCC(=O)c1ccc(-c2cc(-c3ccccn3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C23H17N3O/c1-16(27)17-10-12-18(13-11-17)21-15-22(20-9-5-6-14-24-20)26-23(25-21)19-7-3-2-4-8-19/h2-15H,1H3
InChIKeyOQGHJGADVBAODB-UHFFFAOYSA-N
MW351.41 g/mol
LogP5.08
Rot. Bonds4

About 1-[4-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)phenyl]ethanone

1-[4-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)phenyl]ethanone (PubChem CID 164780913) has the molecular formula C23H17N3O and a molecular weight of 351.41 g/mol. Its IUPAC name is 1-[4-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)phenyl]ethanone
PubChem CID164780913
Molecular FormulaC23H17N3O
Molecular Weight351.41 g/mol
Exact Mass351.14
IUPAC Name1-[4-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)phenyl]ethanone
SMILESCC(=O)c1ccc(-c2cc(-c3ccccn3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C23H17N3O/c1-16(27)17-10-12-18(13-11-17)21-15-22(20-9-5-6-14-24-20)26-23(25-21)19-7-3-2-4-8-19/h2-15H,1H3
InChIKeyOQGHJGADVBAODB-UHFFFAOYSA-N
XLogP5.08
TPSA55.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.41
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-diphenyl-6-pyridin-2-ylpyrimidine
CID 126746872
[4-(4-phenyl-6-pyridin-2-ylpyrimidin-2-yl)phenyl]boronic acid
CID 156900610
2-phenyl-4,6-bis[3-phenyl-5-(4-pyridin-2-ylphenyl)phenyl]pyrimidine
CID 134166118
2-[3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-5-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 126730905
4,6-diphenyl-2-pyridin-2-ylpyrimidine;ethane
CID 145283767
2,4-diphenyl-6-[4-[4-[6-[4-(4-phenylphenyl)-6-(5-phenyl-2-pyridinyl)-2-pyridinyl]-3-pyridinyl]phenyl]phenyl]pyrimidine;2,4-diphenyl-6-[4-[4-[6-[4-(4-phenylphenyl)-6-pyridin-2-yl-2-pyridinyl]-3-pyridinyl]phenyl]phenyl]pyrimidine
CID 165075170
2-phenylpyridine;propan-2-one
CID 174845023
4,6-diphenyl-2-[3-(4-phenylphenyl)-5-(4-pyridin-2-ylphenyl)phenyl]pyrimidine
CID 122549117
1-[4-[3-(4-acetylphenyl)-2-pyridin-2-ylphenyl]phenyl]ethanone
CID 24786462
4,6-diphenyl-2-[3-(4-pyridin-2-ylphenyl)-5-(4-pyrimidin-2-ylphenyl)phenyl]pyrimidine
CID 129292650
2,4-diphenyl-6-[3-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]phenyl]pyrimidine
CID 164817029
2,4-bis(3-pyridin-2-ylphenyl)-6-(4-pyridin-2-ylphenyl)pyrimidine
CID 122426506

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)phenyl]ethanone?
The IUPAC name of 1-[4-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)phenyl]ethanone (CID 164780913) is 1-[4-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)phenyl]ethanone.
What is the SMILES notation for 1-[4-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)phenyl]ethanone?
The canonical SMILES for 1-[4-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)phenyl]ethanone is CC(=O)c1ccc(-c2cc(-c3ccccn3)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of 1-[4-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)phenyl]ethanone?
The InChIKey is OQGHJGADVBAODB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N3O/c1-16(27)17-10-12-18(13-11-17)21-15-22(20-9-5-6-14-24-20)26-23(25-21)19-7-3-2-4-8-19/h2-15H,1H3.
What are the key properties of 1-[4-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)phenyl]ethanone?
1-[4-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)phenyl]ethanone has a molecular weight of 351.41 g/mol, XLogP of 5.08, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)phenyl]ethanone is sourced from PubChem (CID 164780913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).