4-(4-methylphenyl)-2-phenyl-6-(trifluoromethyl)pyrimidine

C18H13F3N2 — CID 100981573

IUPAC4-(4-methylphenyl)-2-phenyl-6-(trifluoromethyl)pyrimidine
SMILESCc1ccc(-c2cc(C(F)(F)F)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C18H13F3N2/c1-12-7-9-13(10-8-12)15-11-16(18(19,20)21)23-17(22-15)14-5-3-2-4-6-14/h2-11H,1H3
InChIKeyPFRKCHDGSFGPCX-UHFFFAOYSA-N
MW314.31 g/mol
LogP5.14
Rot. Bonds2

About 4-(4-methylphenyl)-2-phenyl-6-(trifluoromethyl)pyrimidine

4-(4-methylphenyl)-2-phenyl-6-(trifluoromethyl)pyrimidine (PubChem CID 100981573) has the molecular formula C18H13F3N2 and a molecular weight of 314.31 g/mol. Its IUPAC name is 4-(4-methylphenyl)-2-phenyl-6-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-(4-methylphenyl)-2-phenyl-6-(trifluoromethyl)pyrimidine
PubChem CID100981573
Molecular FormulaC18H13F3N2
Molecular Weight314.31 g/mol
Exact Mass314.10
IUPAC Name4-(4-methylphenyl)-2-phenyl-6-(trifluoromethyl)pyrimidine
SMILESCc1ccc(-c2cc(C(F)(F)F)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C18H13F3N2/c1-12-7-9-13(10-8-12)15-11-16(18(19,20)21)23-17(22-15)14-5-3-2-4-6-14/h2-11H,1H3
InChIKeyPFRKCHDGSFGPCX-UHFFFAOYSA-N
XLogP5.14
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.31
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-tert-butylphenyl)-2-phenyl-6-(trifluoromethyl)pyrimidine
CID 132609554
4-(3-methylphenyl)-2-phenyl-6-(trifluoromethyl)pyridine
CID 155775338
4-(4-methylphenyl)-6-phenyl-2-pyridin-4-ylpyrimidine
CID 138662738
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-methylphenyl)-2-[3-(4-methylphenyl)phenyl]-6-phenylpyrimidine
CID 118345386
2-phenyl-4,6-bis(4-phenylphenyl)pyrimidine
CID 58604250
4-methoxy-2-(4-methylphenyl)-6-phenylpyrimidine
CID 12703705
2-(4-methylphenyl)-4,6-diphenylpyrimidine;2-(3-methylphenyl)-4,6-diphenyl-1,3,5-triazine;2-(4-methylphenyl)-4,6-diphenyl-1,3,5-triazine;2-(4-methylphenyl)-4-phenyl-6-(4-phenylphenyl)pyrimidine;2-(4-methylphenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 162112872
4-tert-butyl-2-phenyl-6-(3-phenylphenyl)pyrimidine
CID 155790859
2-(2-phenyl-4-pyridinyl)-4-(trifluoromethyl)-6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine
CID 141215419
4-(4-methylphenyl)-2,6-bis(trifluoromethyl)pyridine
CID 102408426

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)-2-phenyl-6-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-(4-methylphenyl)-2-phenyl-6-(trifluoromethyl)pyrimidine (CID 100981573) is 4-(4-methylphenyl)-2-phenyl-6-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-(4-methylphenyl)-2-phenyl-6-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-(4-methylphenyl)-2-phenyl-6-(trifluoromethyl)pyrimidine is Cc1ccc(-c2cc(C(F)(F)F)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of 4-(4-methylphenyl)-2-phenyl-6-(trifluoromethyl)pyrimidine?
The InChIKey is PFRKCHDGSFGPCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N2/c1-12-7-9-13(10-8-12)15-11-16(18(19,20)21)23-17(22-15)14-5-3-2-4-6-14/h2-11H,1H3.
What are the key properties of 4-(4-methylphenyl)-2-phenyl-6-(trifluoromethyl)pyrimidine?
4-(4-methylphenyl)-2-phenyl-6-(trifluoromethyl)pyrimidine has a molecular weight of 314.31 g/mol, XLogP of 5.14, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)-2-phenyl-6-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 100981573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).