4-(2,3-dimethylphenyl)-6-phenylpyrimidine

C18H16N2 — CID 140733760

IUPAC4-(2,3-dimethylphenyl)-6-phenylpyrimidine
SMILESCc1cccc(-c2cc(-c3ccccc3)ncn2)c1C
InChIInChI=1S/C18H16N2/c1-13-7-6-10-16(14(13)2)18-11-17(19-12-20-18)15-8-4-3-5-9-15/h3-12H,1-2H3
InChIKeyABECZEVFWZAEQC-UHFFFAOYSA-N
MW260.34 g/mol
LogP4.43
Rot. Bonds2

About 4-(2,3-dimethylphenyl)-6-phenylpyrimidine

4-(2,3-dimethylphenyl)-6-phenylpyrimidine (PubChem CID 140733760) has the molecular formula C18H16N2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 4-(2,3-dimethylphenyl)-6-phenylpyrimidine.

Molecular Properties

Compound Name4-(2,3-dimethylphenyl)-6-phenylpyrimidine
PubChem CID140733760
Molecular FormulaC18H16N2
Molecular Weight260.34 g/mol
Exact Mass260.13
IUPAC Name4-(2,3-dimethylphenyl)-6-phenylpyrimidine
SMILESCc1cccc(-c2cc(-c3ccccc3)ncn2)c1C
InChIInChI=1S/C18H16N2/c1-13-7-6-10-16(14(13)2)18-11-17(19-12-20-18)15-8-4-3-5-9-15/h3-12H,1-2H3
InChIKeyABECZEVFWZAEQC-UHFFFAOYSA-N
XLogP4.43
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4,6-diphenylpyrimidine;iridium(3+)
CID 160559843
1,1'-biphenyl;1,2-dimethyl-3-phenylbenzene
CID 173440409
1,2-dimethyl-3-phenylbenzene;ethane
CID 90738674
4-(3-phenylphenyl)-6-(4-phenylphenyl)pyrimidine
CID 134179987
1,2-dimethyl-3-(2-phenylphenyl)benzene
CID 54215466
4-(2,3-dimethylphenyl)pyrimidine;ethane
CID 144625343
4-(2-methylphenyl)-2-phenylpyridine
CID 58435073
methane;4-methyl-5-(2-methylphenyl)-2-phenylpyridine
CID 142322015
1,2-dimethyl-3-[2-(4-phenylphenyl)phenyl]benzene
CID 171799040
carbonic acid;1,2-dimethyl-3-phenylbenzene
CID 67785413
2-(2,3-dimethylphenyl)-6-(2-methylphenyl)pyridine
CID 123263739
4-[3-(6-naphthalen-1-ylpyrimidin-4-yl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 169296937

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dimethylphenyl)-6-phenylpyrimidine?
The IUPAC name of 4-(2,3-dimethylphenyl)-6-phenylpyrimidine (CID 140733760) is 4-(2,3-dimethylphenyl)-6-phenylpyrimidine.
What is the SMILES notation for 4-(2,3-dimethylphenyl)-6-phenylpyrimidine?
The canonical SMILES for 4-(2,3-dimethylphenyl)-6-phenylpyrimidine is Cc1cccc(-c2cc(-c3ccccc3)ncn2)c1C.
What is the InChIKey of 4-(2,3-dimethylphenyl)-6-phenylpyrimidine?
The InChIKey is ABECZEVFWZAEQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2/c1-13-7-6-10-16(14(13)2)18-11-17(19-12-20-18)15-8-4-3-5-9-15/h3-12H,1-2H3.
What are the key properties of 4-(2,3-dimethylphenyl)-6-phenylpyrimidine?
4-(2,3-dimethylphenyl)-6-phenylpyrimidine has a molecular weight of 260.34 g/mol, XLogP of 4.43, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dimethylphenyl)-6-phenylpyrimidine is sourced from PubChem (CID 140733760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).