4-methyl-2-phenyl-6-(4-pyridin-4-ylphenyl)pyrimidine

Name: 4-methyl-2-phenyl-6-(4-pyridin-4-ylphenyl)pyrimidine — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₂₂H₁₇N₃ — CID 130261229

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC4-methyl-2-phenyl-6-(4-pyridin-4-ylphenyl)pyrimidine

SMILESCc1cc(-c2ccc(-c3ccncc3)cc2)nc(-c2ccccc2)n1

InChIInChI=1S/C22H17N3/c1-16-15-21(25-22(24-16)20-5-3-2-4-6-20)19-9-7-17(8-10-19)18-11-13-23-14-12-18/h2-15H,1H3

InChIKeyJPFACSJFWMXNSE-UHFFFAOYSA-N

MW323.40 g/mol

LogP5.18

Rot. Bonds3

About 4-methyl-2-phenyl-6-(4-pyridin-4-ylphenyl)pyrimidine

4-methyl-2-phenyl-6-(4-pyridin-4-ylphenyl)pyrimidine (PubChem CID 130261229) has the molecular formula C₂₂H₁₇N₃ and a molecular weight of 323.40 g/mol. Its IUPAC name is 4-methyl-2-phenyl-6-(4-pyridin-4-ylphenyl)pyrimidine.

Molecular Properties

Compound Name	4-methyl-2-phenyl-6-(4-pyridin-4-ylphenyl)pyrimidine
PubChem CID	130261229
Molecular Formula	C₂₂H₁₇N₃
Molecular Weight	323.40 g/mol
Exact Mass	323.14
IUPAC Name	4-methyl-2-phenyl-6-(4-pyridin-4-ylphenyl)pyrimidine
SMILES	Cc1cc(-c2ccc(-c3ccncc3)cc2)nc(-c2ccccc2)n1
InChI	InChI=1S/C22H17N3/c1-16-15-21(25-22(24-16)20-5-3-2-4-6-20)19-9-7-17(8-10-19)18-11-13-23-14-12-18/h2-15H,1H3
InChIKey	JPFACSJFWMXNSE-UHFFFAOYSA-N
XLogP	5.18
TPSA	38.67 Å²
H-Bond Donors
H-Bond Acceptors	3
Rotatable Bonds	3
Heavy Atoms	25
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	323.40
LogP ≤ 5	5.18
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-phenyl-6-(4-pyridin-4-ylphenyl)pyrimidine?

The IUPAC name of 4-methyl-2-phenyl-6-(4-pyridin-4-ylphenyl)pyrimidine (CID 130261229) is 4-methyl-2-phenyl-6-(4-pyridin-4-ylphenyl)pyrimidine.

What is the SMILES notation for 4-methyl-2-phenyl-6-(4-pyridin-4-ylphenyl)pyrimidine?

The canonical SMILES for 4-methyl-2-phenyl-6-(4-pyridin-4-ylphenyl)pyrimidine is Cc1cc(-c2ccc(-c3ccncc3)cc2)nc(-c2ccccc2)n1.

What is the InChIKey of 4-methyl-2-phenyl-6-(4-pyridin-4-ylphenyl)pyrimidine?

The InChIKey is JPFACSJFWMXNSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3/c1-16-15-21(25-22(24-16)20-5-3-2-4-6-20)19-9-7-17(8-10-19)18-11-13-23-14-12-18/h2-15H,1H3.

What are the key properties of 4-methyl-2-phenyl-6-(4-pyridin-4-ylphenyl)pyrimidine?

4-methyl-2-phenyl-6-(4-pyridin-4-ylphenyl)pyrimidine 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-methyl-2-phenyl-6-(4-pyridin-4-ylphenyl)pyrimidine is sourced from PubChem (CID 130261229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 130261229 — identifiers, structure, computed properties (public domain)

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