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

C8H9F3N2O — CID 59096535

IUPAC2-(methoxymethyl)-4-methyl-6-(trifluoromethyl)pyrimidine
SMILESCOCc1nc(C)cc(C(F)(F)F)n1
InChIInChI=1S/C8H9F3N2O/c1-5-3-6(8(9,10)11)13-7(12-5)4-14-2/h3H,4H2,1-2H3
InChIKeyXYORXEOGGBYKLE-UHFFFAOYSA-N
MW206.17 g/mol
LogP1.95
Rot. Bonds2

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

2-(methoxymethyl)-4-methyl-6-(trifluoromethyl)pyrimidine (PubChem CID 59096535) has the molecular formula C8H9F3N2O and a molecular weight of 206.17 g/mol. Its IUPAC name is 2-(methoxymethyl)-4-methyl-6-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name2-(methoxymethyl)-4-methyl-6-(trifluoromethyl)pyrimidine
PubChem CID59096535
Molecular FormulaC8H9F3N2O
Molecular Weight206.17 g/mol
Exact Mass206.07
IUPAC Name2-(methoxymethyl)-4-methyl-6-(trifluoromethyl)pyrimidine
SMILESCOCc1nc(C)cc(C(F)(F)F)n1
InChIInChI=1S/C8H9F3N2O/c1-5-3-6(8(9,10)11)13-7(12-5)4-14-2/h3H,4H2,1-2H3
InChIKeyXYORXEOGGBYKLE-UHFFFAOYSA-N
XLogP1.95
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.17
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-4-methyl-6-(trifluoromethyl)pyrimidine?
The IUPAC name of 2-(methoxymethyl)-4-methyl-6-(trifluoromethyl)pyrimidine (CID 59096535) is 2-(methoxymethyl)-4-methyl-6-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 2-(methoxymethyl)-4-methyl-6-(trifluoromethyl)pyrimidine?
The canonical SMILES for 2-(methoxymethyl)-4-methyl-6-(trifluoromethyl)pyrimidine is COCc1nc(C)cc(C(F)(F)F)n1.
What is the InChIKey of 2-(methoxymethyl)-4-methyl-6-(trifluoromethyl)pyrimidine?
The InChIKey is XYORXEOGGBYKLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2O/c1-5-3-6(8(9,10)11)13-7(12-5)4-14-2/h3H,4H2,1-2H3.
What are the key properties of 2-(methoxymethyl)-4-methyl-6-(trifluoromethyl)pyrimidine?
2-(methoxymethyl)-4-methyl-6-(trifluoromethyl)pyrimidine has a molecular weight of 206.17 g/mol, XLogP of 1.95, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-4-methyl-6-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 59096535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).