2-methoxy-4-methyl-6-(trifluoromethyl)pyrimidine-5-carboxylate

C8H6F3N2O3- — CID 53405111

IUPAC2-methoxy-4-methyl-6-(trifluoromethyl)pyrimidine-5-carboxylate
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)/p-1
InChIKeyLEDWXOROITWOBA-UHFFFAOYSA-M
MW235.14 g/mol
LogP0.18
Rot. Bonds2

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

2-methoxy-4-methyl-6-(trifluoromethyl)pyrimidine-5-carboxylate (PubChem CID 53405111) has the molecular formula C8H6F3N2O3- and a molecular weight of 235.14 g/mol. Its IUPAC name is 2-methoxy-4-methyl-6-(trifluoromethyl)pyrimidine-5-carboxylate.

Molecular Properties

Compound Name2-methoxy-4-methyl-6-(trifluoromethyl)pyrimidine-5-carboxylate
PubChem CID53405111
Molecular FormulaC8H6F3N2O3-
Molecular Weight235.14 g/mol
Exact Mass235.03
IUPAC Name2-methoxy-4-methyl-6-(trifluoromethyl)pyrimidine-5-carboxylate
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)/p-1
InChIKeyLEDWXOROITWOBA-UHFFFAOYSA-M
XLogP0.18
TPSA75.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.14
LogP ≤ 50.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-methyl-6-(trifluoromethyl)pyrimidine-5-carboxylate?
The IUPAC name of 2-methoxy-4-methyl-6-(trifluoromethyl)pyrimidine-5-carboxylate (CID 53405111) is 2-methoxy-4-methyl-6-(trifluoromethyl)pyrimidine-5-carboxylate.
What is the SMILES notation for 2-methoxy-4-methyl-6-(trifluoromethyl)pyrimidine-5-carboxylate?
The canonical SMILES for 2-methoxy-4-methyl-6-(trifluoromethyl)pyrimidine-5-carboxylate 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-carboxylate?
The InChIKey is LEDWXOROITWOBA-UHFFFAOYSA-M. 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)/p-1.
What are the key properties of 2-methoxy-4-methyl-6-(trifluoromethyl)pyrimidine-5-carboxylate?
2-methoxy-4-methyl-6-(trifluoromethyl)pyrimidine-5-carboxylate has a molecular weight of 235.14 g/mol, XLogP of 0.18, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-methyl-6-(trifluoromethyl)pyrimidine-5-carboxylate is sourced from PubChem (CID 53405111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).