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

C8H7F3N2O3 — CID 171692259

IUPACmethyl 6-methoxy-2-(trifluoromethyl)pyrimidine-4-carboxylate
SMILESCOC(=O)c1cc(OC)nc(C(F)(F)F)n1
InChIInChI=1S/C8H7F3N2O3/c1-15-5-3-4(6(14)16-2)12-7(13-5)8(9,10)11/h3H,1-2H3
InChIKeyZGEJNYUCNCQGDG-UHFFFAOYSA-N
MW236.15 g/mol
LogP1.29
Rot. Bonds2

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

methyl 6-methoxy-2-(trifluoromethyl)pyrimidine-4-carboxylate (PubChem CID 171692259) has the molecular formula C8H7F3N2O3 and a molecular weight of 236.15 g/mol. Its IUPAC name is methyl 6-methoxy-2-(trifluoromethyl)pyrimidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 6-methoxy-2-(trifluoromethyl)pyrimidine-4-carboxylate
PubChem CID171692259
Molecular FormulaC8H7F3N2O3
Molecular Weight236.15 g/mol
Exact Mass236.04
IUPAC Namemethyl 6-methoxy-2-(trifluoromethyl)pyrimidine-4-carboxylate
SMILESCOC(=O)c1cc(OC)nc(C(F)(F)F)n1
InChIInChI=1S/C8H7F3N2O3/c1-15-5-3-4(6(14)16-2)12-7(13-5)8(9,10)11/h3H,1-2H3
InChIKeyZGEJNYUCNCQGDG-UHFFFAOYSA-N
XLogP1.29
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.15
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2,6-Dimethoxypyrimidine-4-carboxylic acid
CID 2736210
6-methoxypyrimidine-4-carboxylic Acid
CID 3300297
Methyl 2,6-dimethoxypyrimidine-4-carboxylate
CID 330001
Methyl 2,6-difluoropyrimidine-4-carboxylate
CID 19738427
(4,4-Difluoro-3-methylbut-3-enyl) 6-butoxy-2-methylpyrimidine-4-carboxylate
CID 23020219
6-[(4-Oxocyclohexyl)oxy]-2-(trifluoromethyl)pyrimidine-4-carboxylic acid
CID 71257331
6-Methoxy-2-(trifluoromethyl)-4-pyrimidinecarboxylic acid
CID 83822724
Methyl 2-chloro-6-(2,2,2-trifluoroethoxy)pyrimidine-4-carboxylate
CID 89115022
Methyl 2-methyl-6-(2,2,2-trifluoroethoxy)pyrimidine-4-carboxylate
CID 153217797
Methyl 6-(difluoromethoxy)pyrimidine-4-carboxylate
CID 161698620
6-(2-Fluoroethoxy)pyrimidine-4-carboxylic acid
CID 166038660
6-(Difluoromethoxy)pyrimidine-4-carboxylic acid
CID 175172934

Frequently Asked Questions

What is the IUPAC name of methyl 6-methoxy-2-(trifluoromethyl)pyrimidine-4-carboxylate?
The IUPAC name of methyl 6-methoxy-2-(trifluoromethyl)pyrimidine-4-carboxylate (CID 171692259) is methyl 6-methoxy-2-(trifluoromethyl)pyrimidine-4-carboxylate.
What is the SMILES notation for methyl 6-methoxy-2-(trifluoromethyl)pyrimidine-4-carboxylate?
The canonical SMILES for methyl 6-methoxy-2-(trifluoromethyl)pyrimidine-4-carboxylate is COC(=O)c1cc(OC)nc(C(F)(F)F)n1.
What is the InChIKey of methyl 6-methoxy-2-(trifluoromethyl)pyrimidine-4-carboxylate?
The InChIKey is ZGEJNYUCNCQGDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N2O3/c1-15-5-3-4(6(14)16-2)12-7(13-5)8(9,10)11/h3H,1-2H3.
What are the key properties of methyl 6-methoxy-2-(trifluoromethyl)pyrimidine-4-carboxylate?
methyl 6-methoxy-2-(trifluoromethyl)pyrimidine-4-carboxylate has a molecular weight of 236.15 g/mol, XLogP of 1.29, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-methoxy-2-(trifluoromethyl)pyrimidine-4-carboxylate is sourced from PubChem (CID 171692259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).