4-(2,4-dimethylphenyl)-2-(trifluoromethyl)pyrimidine

C13H11F3N2 — CID 116903677

IUPAC4-(2,4-dimethylphenyl)-2-(trifluoromethyl)pyrimidine
SMILESCc1ccc(-c2ccnc(C(F)(F)F)n2)c(C)c1
InChIInChI=1S/C13H11F3N2/c1-8-3-4-10(9(2)7-8)11-5-6-17-12(18-11)13(14,15)16/h3-7H,1-2H3
InChIKeyZGIWNPGDMXJPFV-UHFFFAOYSA-N
MW252.24 g/mol
LogP3.78
Rot. Bonds1

About 4-(2,4-dimethylphenyl)-2-(trifluoromethyl)pyrimidine

4-(2,4-dimethylphenyl)-2-(trifluoromethyl)pyrimidine (PubChem CID 116903677) has the molecular formula C13H11F3N2 and a molecular weight of 252.24 g/mol. Its IUPAC name is 4-(2,4-dimethylphenyl)-2-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-(2,4-dimethylphenyl)-2-(trifluoromethyl)pyrimidine
PubChem CID116903677
Molecular FormulaC13H11F3N2
Molecular Weight252.24 g/mol
Exact Mass252.09
IUPAC Name4-(2,4-dimethylphenyl)-2-(trifluoromethyl)pyrimidine
SMILESCc1ccc(-c2ccnc(C(F)(F)F)n2)c(C)c1
InChIInChI=1S/C13H11F3N2/c1-8-3-4-10(9(2)7-8)11-5-6-17-12(18-11)13(14,15)16/h3-7H,1-2H3
InChIKeyZGIWNPGDMXJPFV-UHFFFAOYSA-N
XLogP3.78
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.24
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(2,4-dimethylphenyl)pyrimidin-2-yl]propan-2-ol
CID 116902043
2-[4-(2,4-dimethylphenyl)pyrimidin-2-yl]propan-2-amine
CID 116897645
2-[4-(2,4-dimethylphenyl)pyrimidin-2-yl]-N-methylpropan-2-amine
CID 116900149
2-bromo-4-(2,4-dimethylphenyl)pyrimidine
CID 116904235
2-(2,4-dimethylphenyl)-4-fluoropyridine
CID 102824457
2-[4-(2,4-dimethylphenyl)pyrimidin-2-yl]ethanol
CID 116899554
4-(2,4-dimethylphenyl)-2-piperazin-1-ylpyrimidine
CID 82487669
6-(2,4-dimethylphenyl)-2,3-dimethylpyridine;ethane
CID 176948420
4-phenyl-2-(trifluoromethyl)pyrimidine
CID 56956173
4-(2-fluoro-4-methylphenyl)-2-methylpyrimidine
CID 177157119
4-[2-methyl-4-(trifluoromethyl)phenyl]-N-propylpyrimidin-2-amine
CID 102754134
[1-[4-(2,4-dimethylphenyl)pyrimidin-2-yl]cyclobutyl]methanamine
CID 116902682

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dimethylphenyl)-2-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-(2,4-dimethylphenyl)-2-(trifluoromethyl)pyrimidine (CID 116903677) is 4-(2,4-dimethylphenyl)-2-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-(2,4-dimethylphenyl)-2-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-(2,4-dimethylphenyl)-2-(trifluoromethyl)pyrimidine is Cc1ccc(-c2ccnc(C(F)(F)F)n2)c(C)c1.
What is the InChIKey of 4-(2,4-dimethylphenyl)-2-(trifluoromethyl)pyrimidine?
The InChIKey is ZGIWNPGDMXJPFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2/c1-8-3-4-10(9(2)7-8)11-5-6-17-12(18-11)13(14,15)16/h3-7H,1-2H3.
What are the key properties of 4-(2,4-dimethylphenyl)-2-(trifluoromethyl)pyrimidine?
4-(2,4-dimethylphenyl)-2-(trifluoromethyl)pyrimidine has a molecular weight of 252.24 g/mol, XLogP of 3.78, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dimethylphenyl)-2-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 116903677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).