4-(4-methylphenyl)-6-phenyl-2-pyridin-4-ylpyrimidine

C22H17N3 — CID 138662738

IUPAC4-(4-methylphenyl)-6-phenyl-2-pyridin-4-ylpyrimidine
SMILESCc1ccc(-c2cc(-c3ccccc3)nc(-c3ccncc3)n2)cc1
InChIInChI=1S/C22H17N3/c1-16-7-9-18(10-8-16)21-15-20(17-5-3-2-4-6-17)24-22(25-21)19-11-13-23-14-12-19/h2-15H,1H3
InChIKeyVGIIGXZPDXEJAE-UHFFFAOYSA-N
MW323.40 g/mol
LogP5.18
Rot. Bonds3

About 4-(4-methylphenyl)-6-phenyl-2-pyridin-4-ylpyrimidine

4-(4-methylphenyl)-6-phenyl-2-pyridin-4-ylpyrimidine (PubChem CID 138662738) has the molecular formula C22H17N3 and a molecular weight of 323.40 g/mol. Its IUPAC name is 4-(4-methylphenyl)-6-phenyl-2-pyridin-4-ylpyrimidine.

Molecular Properties

Compound Name4-(4-methylphenyl)-6-phenyl-2-pyridin-4-ylpyrimidine
PubChem CID138662738
Molecular FormulaC22H17N3
Molecular Weight323.40 g/mol
Exact Mass323.14
IUPAC Name4-(4-methylphenyl)-6-phenyl-2-pyridin-4-ylpyrimidine
SMILESCc1ccc(-c2cc(-c3ccccc3)nc(-c3ccncc3)n2)cc1
InChIInChI=1S/C22H17N3/c1-16-7-9-18(10-8-16)21-15-20(17-5-3-2-4-6-17)24-22(25-21)19-11-13-23-14-12-19/h2-15H,1H3
InChIKeyVGIIGXZPDXEJAE-UHFFFAOYSA-N
XLogP5.18
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.40
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenyl-4-(4-pyridin-4-ylphenyl)-6-[4-(4-pyridin-4-ylphenyl)phenyl]pyrimidine
CID 121289840
4-methyl-2-phenyl-6-(4-pyridin-4-ylphenyl)pyrimidine
CID 130261229
2,4-diphenyl-6-[3-(4-pyridin-4-ylphenyl)phenyl]pyrimidine
CID 165168331
2,4-diphenyl-6-[4-[3-[2-phenyl-6-(4-pyridin-4-ylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine
CID 163606051
4-(4-bromophenyl)-6-(4-phenylphenyl)-2-pyridin-4-ylpyrimidine
CID 158306088
2,4,6-tripyridin-4-ylpyrimidine
CID 46317152
2-(4-methylphenyl)-4-phenyl-6-(3-phenylphenyl)pyrimidine
CID 129023209
4-[3-(2,6-diphenyl-4-pyridinyl)-5-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-(4-methylphenyl)-2-phenylpyrimidine
CID 135243270
4-(4-hexacyclo[24.4.0.02,7.08,13.014,19.020,25]triaconta-1(30),2(7),3,5,8,10,12,14,16,18,20,22,24,26,28-pentadecaenyl)-2-phenyl-6-pyridin-4-ylpyrimidine
CID 130267857
2,4-diphenyl-6-[4-[3-[6-phenyl-2-(3-pyridin-4-ylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine
CID 163452387
2-phenyl-4,6-bis(4-phenylphenyl)pyrimidine
CID 58604250
4-anthracen-2-yl-6-(4-phenylphenyl)-2-pyridin-4-ylpyrimidine
CID 157079561

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)-6-phenyl-2-pyridin-4-ylpyrimidine?
The IUPAC name of 4-(4-methylphenyl)-6-phenyl-2-pyridin-4-ylpyrimidine (CID 138662738) is 4-(4-methylphenyl)-6-phenyl-2-pyridin-4-ylpyrimidine.
What is the SMILES notation for 4-(4-methylphenyl)-6-phenyl-2-pyridin-4-ylpyrimidine?
The canonical SMILES for 4-(4-methylphenyl)-6-phenyl-2-pyridin-4-ylpyrimidine is Cc1ccc(-c2cc(-c3ccccc3)nc(-c3ccncc3)n2)cc1.
What is the InChIKey of 4-(4-methylphenyl)-6-phenyl-2-pyridin-4-ylpyrimidine?
The InChIKey is VGIIGXZPDXEJAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3/c1-16-7-9-18(10-8-16)21-15-20(17-5-3-2-4-6-17)24-22(25-21)19-11-13-23-14-12-19/h2-15H,1H3.
What are the key properties of 4-(4-methylphenyl)-6-phenyl-2-pyridin-4-ylpyrimidine?
4-(4-methylphenyl)-6-phenyl-2-pyridin-4-ylpyrimidine has a molecular weight of 323.40 g/mol, XLogP of 5.18, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)-6-phenyl-2-pyridin-4-ylpyrimidine is sourced from PubChem (CID 138662738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).