2-[2-ethyl-6-(trifluoromethyl)pyrimidin-4-yl]oxyacetic acid

C9H9F3N2O3 — CID 94077280

IUPAC2-[2-ethyl-6-(trifluoromethyl)pyrimidin-4-yl]oxyacetic acid
SMILESCCc1nc(OCC(=O)O)cc(C(F)(F)F)n1
InChIInChI=1S/C9H9F3N2O3/c1-2-6-13-5(9(10,11)12)3-7(14-6)17-4-8(15)16/h3H,2,4H2,1H3,(H,15,16)
InChIKeyNRYJCRGVXSUEMS-UHFFFAOYSA-N
MW250.18 g/mol
LogP1.52
Rot. Bonds4

About 2-[2-ethyl-6-(trifluoromethyl)pyrimidin-4-yl]oxyacetic acid

2-[2-ethyl-6-(trifluoromethyl)pyrimidin-4-yl]oxyacetic acid (PubChem CID 94077280) has the molecular formula C9H9F3N2O3 and a molecular weight of 250.18 g/mol. Its IUPAC name is 2-[2-ethyl-6-(trifluoromethyl)pyrimidin-4-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[2-ethyl-6-(trifluoromethyl)pyrimidin-4-yl]oxyacetic acid
PubChem CID94077280
Molecular FormulaC9H9F3N2O3
Molecular Weight250.18 g/mol
Exact Mass250.06
IUPAC Name2-[2-ethyl-6-(trifluoromethyl)pyrimidin-4-yl]oxyacetic acid
SMILESCCc1nc(OCC(=O)O)cc(C(F)(F)F)n1
InChIInChI=1S/C9H9F3N2O3/c1-2-6-13-5(9(10,11)12)3-7(14-6)17-4-8(15)16/h3H,2,4H2,1H3,(H,15,16)
InChIKeyNRYJCRGVXSUEMS-UHFFFAOYSA-N
XLogP1.52
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.18
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-Dimethyl-6-ethoxypyrimidine
CID 12318269
Acetic acid, [[6-methyl-2-(methylthio)-4-pyrimidinyl]oxy]-, methyl ester
CID 704438
methyl (Z)-3-hydroxy-2-[[2-propan-2-yloxy-6-(trifluoromethyl)pyrimidin-4-yl]oxymethyl]prop-2-enoate
CID 17818250
2-(5-Chloro-2-methyl-6-trifluoromethylpyrimidin-4-yloxy)propionic acid
CID 18700273
4-Ethoxy-6-(trifluoromethyl)pyrimidin-2-amine
CID 19966718
2-Methyl-2-((6-(trifluoromethyl)pyrimidin-4-yl)oxy)propanoic acid
CID 22270642
Ethanol;4-ethoxy-6-(trifluoromethyl)pyrimidin-2-amine
CID 67833415
Methyl 2-(2-isopropoxy-6-trifluoromethylpyrimidine-4-yloxymethyl)-3-hydroxyacrylate
CID 69631142
2,4-Dimethyl-6-(2,2,2-trifluoroethoxy)pyrimidine
CID 89526615
4-Methyl-2-propan-2-yl-6-(2,2,2-trifluoroethoxy)pyrimidine
CID 89526619
4-Ethoxy-6-(trifluoromethyl)pyrimidine-2-carbonitrile
CID 90935969
4-Methoxy-2-propyl-6-(trifluoromethyl)pyrimidine
CID 91224305

Frequently Asked Questions

What is the IUPAC name of 2-[2-ethyl-6-(trifluoromethyl)pyrimidin-4-yl]oxyacetic acid?
The IUPAC name of 2-[2-ethyl-6-(trifluoromethyl)pyrimidin-4-yl]oxyacetic acid (CID 94077280) is 2-[2-ethyl-6-(trifluoromethyl)pyrimidin-4-yl]oxyacetic acid.
What is the SMILES notation for 2-[2-ethyl-6-(trifluoromethyl)pyrimidin-4-yl]oxyacetic acid?
The canonical SMILES for 2-[2-ethyl-6-(trifluoromethyl)pyrimidin-4-yl]oxyacetic acid is CCc1nc(OCC(=O)O)cc(C(F)(F)F)n1.
What is the InChIKey of 2-[2-ethyl-6-(trifluoromethyl)pyrimidin-4-yl]oxyacetic acid?
The InChIKey is NRYJCRGVXSUEMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2O3/c1-2-6-13-5(9(10,11)12)3-7(14-6)17-4-8(15)16/h3H,2,4H2,1H3,(H,15,16).
What are the key properties of 2-[2-ethyl-6-(trifluoromethyl)pyrimidin-4-yl]oxyacetic acid?
2-[2-ethyl-6-(trifluoromethyl)pyrimidin-4-yl]oxyacetic acid has a molecular weight of 250.18 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-ethyl-6-(trifluoromethyl)pyrimidin-4-yl]oxyacetic acid is sourced from PubChem (CID 94077280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).