2,4-dimethyl-6-[4-(trifluoromethyl)phenoxy]pyrimidine

C13H11F3N2O — CID 176691058

IUPAC2,4-dimethyl-6-[4-(trifluoromethyl)phenoxy]pyrimidine
SMILESCc1cc(Oc2ccc(C(F)(F)F)cc2)nc(C)n1
InChIInChI=1S/C13H11F3N2O/c1-8-7-12(18-9(2)17-8)19-11-5-3-10(4-6-11)13(14,15)16/h3-7H,1-2H3
InChIKeyVPFIPCOHUAUXFX-UHFFFAOYSA-N
MW268.24 g/mol
LogP3.90
Rot. Bonds2

About 2,4-dimethyl-6-[4-(trifluoromethyl)phenoxy]pyrimidine

2,4-dimethyl-6-[4-(trifluoromethyl)phenoxy]pyrimidine (PubChem CID 176691058) has the molecular formula C13H11F3N2O and a molecular weight of 268.24 g/mol. Its IUPAC name is 2,4-dimethyl-6-[4-(trifluoromethyl)phenoxy]pyrimidine.

Molecular Properties

Compound Name2,4-dimethyl-6-[4-(trifluoromethyl)phenoxy]pyrimidine
PubChem CID176691058
Molecular FormulaC13H11F3N2O
Molecular Weight268.24 g/mol
Exact Mass268.08
IUPAC Name2,4-dimethyl-6-[4-(trifluoromethyl)phenoxy]pyrimidine
SMILESCc1cc(Oc2ccc(C(F)(F)F)cc2)nc(C)n1
InChIInChI=1S/C13H11F3N2O/c1-8-7-12(18-9(2)17-8)19-11-5-3-10(4-6-11)13(14,15)16/h3-7H,1-2H3
InChIKeyVPFIPCOHUAUXFX-UHFFFAOYSA-N
XLogP3.90
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.24
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-4-methyl-6-[4-(trifluoromethyl)phenoxy]pyrimidine
CID 62476947
4-methyl-6-[3-(trifluoromethyl)phenoxy]-2-[4-(trifluoromethyl)phenoxy]pyrimidine
CID 152556619
4-(4-fluorophenoxy)-6-methyl-2-[3-(trifluoromethyl)phenyl]pyrimidine
CID 18356785
N-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-4-(trifluoromethyl)benzenesulfonamide
CID 122310468
4-methyl-6-[3-(trifluoromethyl)phenoxy]pyrimidin-2-amine
CID 14724234
N-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
CID 122310636
N-[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
CID 122309503
N-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 122310598
methyl 4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]oxybenzoate
CID 165391069
[4-(2,6-dimethylpyrimidin-4-yl)oxy-3-(trifluoromethyl)phenyl]methanamine
CID 115468322
[2-methylsulfanyl-6-[4-(trifluoromethyl)phenoxy]pyrimidin-4-yl]hydrazine
CID 80910588
[6-(4-methylphenoxy)-4-(trifluoromethyl)-2-pyridinyl]hydrazine
CID 102721247

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-6-[4-(trifluoromethyl)phenoxy]pyrimidine?
The IUPAC name of 2,4-dimethyl-6-[4-(trifluoromethyl)phenoxy]pyrimidine (CID 176691058) is 2,4-dimethyl-6-[4-(trifluoromethyl)phenoxy]pyrimidine.
What is the SMILES notation for 2,4-dimethyl-6-[4-(trifluoromethyl)phenoxy]pyrimidine?
The canonical SMILES for 2,4-dimethyl-6-[4-(trifluoromethyl)phenoxy]pyrimidine is Cc1cc(Oc2ccc(C(F)(F)F)cc2)nc(C)n1.
What is the InChIKey of 2,4-dimethyl-6-[4-(trifluoromethyl)phenoxy]pyrimidine?
The InChIKey is VPFIPCOHUAUXFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2O/c1-8-7-12(18-9(2)17-8)19-11-5-3-10(4-6-11)13(14,15)16/h3-7H,1-2H3.
What are the key properties of 2,4-dimethyl-6-[4-(trifluoromethyl)phenoxy]pyrimidine?
2,4-dimethyl-6-[4-(trifluoromethyl)phenoxy]pyrimidine has a molecular weight of 268.24 g/mol, XLogP of 3.90, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-6-[4-(trifluoromethyl)phenoxy]pyrimidine is sourced from PubChem (CID 176691058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).