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

C12H9F3N2 — CID 116896751

IUPAC4-methyl-6-phenyl-2-(trifluoromethyl)pyrimidine
SMILESCc1cc(-c2ccccc2)nc(C(F)(F)F)n1
InChIInChI=1S/C12H9F3N2/c1-8-7-10(9-5-3-2-4-6-9)17-11(16-8)12(13,14)15/h2-7H,1H3
InChIKeySHEXKJVMSCGYAT-UHFFFAOYSA-N
MW238.21 g/mol
LogP3.47
Rot. Bonds1

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

4-methyl-6-phenyl-2-(trifluoromethyl)pyrimidine (PubChem CID 116896751) has the molecular formula C12H9F3N2 and a molecular weight of 238.21 g/mol. Its IUPAC name is 4-methyl-6-phenyl-2-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-methyl-6-phenyl-2-(trifluoromethyl)pyrimidine
PubChem CID116896751
Molecular FormulaC12H9F3N2
Molecular Weight238.21 g/mol
Exact Mass238.07
IUPAC Name4-methyl-6-phenyl-2-(trifluoromethyl)pyrimidine
SMILESCc1cc(-c2ccccc2)nc(C(F)(F)F)n1
InChIInChI=1S/C12H9F3N2/c1-8-7-10(9-5-3-2-4-6-9)17-11(16-8)12(13,14)15/h2-7H,1H3
InChIKeySHEXKJVMSCGYAT-UHFFFAOYSA-N
XLogP3.47
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.21
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-6-(1H-pyrrol-3-yl)-2-(trifluoromethyl)pyrimidine
CID 116896762
copper;bis(4-methyl-2-(4-methyl-6-phenylpyrimidin-2-yl)-6-phenylpyrimidine)
CID 140777635
6-phenyl-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106769168
4-fluoro-2-methyl-6-phenylpyridine
CID 131074497
2-methyl-4,6-diphenylpyridine
CID 618669
2-tert-butyl-4,6-diphenylpyrimidine
CID 90180530
4-phenyl-2-(trifluoromethyl)pyrimidine
CID 56956173
4-methyl-6-phenylpyrimidine-2-carboxylic acid
CID 12846711
4-(4-methylphenyl)-2-phenyl-6-(trifluoromethyl)pyrimidine
CID 100981573
4-methyl-2-phenyl-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrimidine
CID 162286715
4-methyl-6-phenylpyrimidine-2-carboxamide
CID 12562158
4-(3-methylphenyl)-2-phenyl-6-(trifluoromethyl)pyridine
CID 155775338

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-phenyl-2-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-methyl-6-phenyl-2-(trifluoromethyl)pyrimidine (CID 116896751) is 4-methyl-6-phenyl-2-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-methyl-6-phenyl-2-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-methyl-6-phenyl-2-(trifluoromethyl)pyrimidine is Cc1cc(-c2ccccc2)nc(C(F)(F)F)n1.
What is the InChIKey of 4-methyl-6-phenyl-2-(trifluoromethyl)pyrimidine?
The InChIKey is SHEXKJVMSCGYAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3N2/c1-8-7-10(9-5-3-2-4-6-9)17-11(16-8)12(13,14)15/h2-7H,1H3.
What are the key properties of 4-methyl-6-phenyl-2-(trifluoromethyl)pyrimidine?
4-methyl-6-phenyl-2-(trifluoromethyl)pyrimidine has a molecular weight of 238.21 g/mol, XLogP of 3.47, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-phenyl-2-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 116896751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).