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

C22H17N3 — CID 130261229

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 Name4-methyl-2-phenyl-6-(4-pyridin-4-ylphenyl)pyrimidine
PubChem CID130261229
Molecular FormulaC22H17N3
Molecular Weight323.40 g/mol
Exact Mass323.14
IUPAC Name4-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
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-(4-methylphenyl)-6-phenyl-2-pyridin-4-ylpyrimidine
CID 138662738
2-methyl-4,6-bis(4-methylphenyl)-1,3,5-triazine;4-methyl-2,6-diphenylpyrimidine;2-methyl-4,6-diphenyl-1,3,5-triazine;2-methyl-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 157118867
2-[4-[3-[4-(4,6-dimethylpyrimidin-2-yl)phenyl]-5-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-4,6-dimethylpyrimidine
CID 129292621
2,4-diphenyl-6-[3-(4-pyridin-4-ylphenyl)phenyl]pyrimidine
CID 165168331
4-methyl-2-phenyl-6-(3-phenylphenyl)pyrimidine
CID 121360265
4-(4-bromophenyl)-6-(4-phenylphenyl)-2-pyridin-4-ylpyrimidine
CID 158306088
2,4-diphenyl-6-[4-[3-[2-phenyl-6-(4-pyridin-4-ylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine
CID 163606051
copper;bis(4-methyl-2-(4-methyl-6-phenylpyrimidin-2-yl)-6-phenylpyrimidine)
CID 140777635
4-methyl-6-(4-phenoxyphenyl)-2-phenylpyrimidine
CID 138967549
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

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).