2-methoxy-4-methyl-6-(trifluoromethyl)pyrimidine-5-carboxylic acid

C8H7F3N2O3 — CID 53405112

IUPAC2-methoxy-4-methyl-6-(trifluoromethyl)pyrimidine-5-carboxylic acid
SMILESCOc1nc(C)c(C(=O)O)c(C(F)(F)F)n1
InChIInChI=1S/C8H7F3N2O3/c1-3-4(6(14)15)5(8(9,10)11)13-7(12-3)16-2/h1-2H3,(H,14,15)
InChIKeyLEDWXOROITWOBA-UHFFFAOYSA-N
MW236.15 g/mol
LogP1.51
Rot. Bonds2

About 2-methoxy-4-methyl-6-(trifluoromethyl)pyrimidine-5-carboxylic acid

2-methoxy-4-methyl-6-(trifluoromethyl)pyrimidine-5-carboxylic acid (PubChem CID 53405112) has the molecular formula C8H7F3N2O3 and a molecular weight of 236.15 g/mol. Its IUPAC name is 2-methoxy-4-methyl-6-(trifluoromethyl)pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-methoxy-4-methyl-6-(trifluoromethyl)pyrimidine-5-carboxylic acid
PubChem CID53405112
Molecular FormulaC8H7F3N2O3
Molecular Weight236.15 g/mol
Exact Mass236.04
IUPAC Name2-methoxy-4-methyl-6-(trifluoromethyl)pyrimidine-5-carboxylic acid
SMILESCOc1nc(C)c(C(=O)O)c(C(F)(F)F)n1
InChIInChI=1S/C8H7F3N2O3/c1-3-4(6(14)15)5(8(9,10)11)13-7(12-3)16-2/h1-2H3,(H,14,15)
InChIKeyLEDWXOROITWOBA-UHFFFAOYSA-N
XLogP1.51
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.15
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-methyl-6-(trifluoromethyl)pyrimidine-5-carboxylic acid?
The IUPAC name of 2-methoxy-4-methyl-6-(trifluoromethyl)pyrimidine-5-carboxylic acid (CID 53405112) is 2-methoxy-4-methyl-6-(trifluoromethyl)pyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-methoxy-4-methyl-6-(trifluoromethyl)pyrimidine-5-carboxylic acid?
The canonical SMILES for 2-methoxy-4-methyl-6-(trifluoromethyl)pyrimidine-5-carboxylic acid is COc1nc(C)c(C(=O)O)c(C(F)(F)F)n1.
What is the InChIKey of 2-methoxy-4-methyl-6-(trifluoromethyl)pyrimidine-5-carboxylic acid?
The InChIKey is LEDWXOROITWOBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N2O3/c1-3-4(6(14)15)5(8(9,10)11)13-7(12-3)16-2/h1-2H3,(H,14,15).
What are the key properties of 2-methoxy-4-methyl-6-(trifluoromethyl)pyrimidine-5-carboxylic acid?
2-methoxy-4-methyl-6-(trifluoromethyl)pyrimidine-5-carboxylic acid has a molecular weight of 236.15 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-methyl-6-(trifluoromethyl)pyrimidine-5-carboxylic acid is sourced from PubChem (CID 53405112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).