4-[3-(2-methylphenyl)phenyl]pyrimidine

C17H14N2 — CID 146397292

IUPAC4-[3-(2-methylphenyl)phenyl]pyrimidine
SMILESCc1ccccc1-c1cccc(-c2ccncn2)c1
InChIInChI=1S/C17H14N2/c1-13-5-2-3-8-16(13)14-6-4-7-15(11-14)17-9-10-18-12-19-17/h2-12H,1H3
InChIKeyOKUYEBXJBXHFHW-UHFFFAOYSA-N
MW246.31 g/mol
LogP4.12
Rot. Bonds2

About 4-[3-(2-methylphenyl)phenyl]pyrimidine

4-[3-(2-methylphenyl)phenyl]pyrimidine (PubChem CID 146397292) has the molecular formula C17H14N2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 4-[3-(2-methylphenyl)phenyl]pyrimidine.

Molecular Properties

Compound Name4-[3-(2-methylphenyl)phenyl]pyrimidine
PubChem CID146397292
Molecular FormulaC17H14N2
Molecular Weight246.31 g/mol
Exact Mass246.12
IUPAC Name4-[3-(2-methylphenyl)phenyl]pyrimidine
SMILESCc1ccccc1-c1cccc(-c2ccncn2)c1
InChIInChI=1S/C17H14N2/c1-13-5-2-3-8-16(13)14-6-4-7-15(11-14)17-9-10-18-12-19-17/h2-12H,1H3
InChIKeyOKUYEBXJBXHFHW-UHFFFAOYSA-N
XLogP4.12
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-[3-(2-methylphenyl)phenyl]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(3-naphthalen-1-ylphenyl)pyrimidine
CID 156551175
4-(3-pyridin-2-ylphenyl)pyrimidine
CID 172541875
ethane;4-(3-methylphenyl)pyrimidine
CID 178100798
ethane;4-(3-methylphenyl)pyrimidine
CID 144572009
4-(2,3-dimethylphenyl)pyrimidine;ethane
CID 144625343
4-(2-methylphenyl)-2-phenylpyridine
CID 58435073
4-(2-phenyl-4-pyridinyl)pyrimidine
CID 58421020
ethane;1-methyl-2-(3-phenylphenyl)benzene
CID 142541189
2-[3-naphthalen-1-yl-5-(3-pyrimidin-4-ylphenyl)phenyl]-4,6-diphenylpyrimidine
CID 129292712
4-(9-methyldibenzothiophen-3-yl)pyrimidine
CID 146397241
4-(9,9'-spirobi[fluorene]-2-yl)pyrimidine
CID 142417672
4-(2-methylphenyl)pyridine;hydroiodide
CID 175234022

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-methylphenyl)phenyl]pyrimidine?
The IUPAC name of 4-[3-(2-methylphenyl)phenyl]pyrimidine (CID 146397292) is 4-[3-(2-methylphenyl)phenyl]pyrimidine.
What is the SMILES notation for 4-[3-(2-methylphenyl)phenyl]pyrimidine?
The canonical SMILES for 4-[3-(2-methylphenyl)phenyl]pyrimidine is Cc1ccccc1-c1cccc(-c2ccncn2)c1.
What is the InChIKey of 4-[3-(2-methylphenyl)phenyl]pyrimidine?
The InChIKey is OKUYEBXJBXHFHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2/c1-13-5-2-3-8-16(13)14-6-4-7-15(11-14)17-9-10-18-12-19-17/h2-12H,1H3.
What are the key properties of 4-[3-(2-methylphenyl)phenyl]pyrimidine?
4-[3-(2-methylphenyl)phenyl]pyrimidine has a molecular weight of 246.31 g/mol, XLogP of 4.12, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-methylphenyl)phenyl]pyrimidine is sourced from PubChem (CID 146397292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).