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Ethyl 2-amino-4-(trifluoromethyl)pyrimidine-5-carboxylate

CAS No.:
149771-09-5
Catalog Number:
AG001M0O
Molecular Formula:
C8H8F3N3O2
Molecular Weight:
235.1632
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$62
- +
5g
95%
In Stock USA
United States
$216
- +
25g
95%
In Stock USA
United States
$900
- +
Product Description
Catalog Number:
AG001M0O
Chemical Name:
Ethyl 2-amino-4-(trifluoromethyl)pyrimidine-5-carboxylate
CAS Number:
149771-09-5
Molecular Formula:
C8H8F3N3O2
Molecular Weight:
235.1632
MDL Number:
MFCD00052070
IUPAC Name:
ethyl 2-amino-4-(trifluoromethyl)pyrimidine-5-carboxylate
InChI:
InChI=1S/C8H8F3N3O2/c1-2-16-6(15)4-3-13-7(12)14-5(4)8(9,10)11/h3H,2H2,1H3,(H2,12,13,14)
InChI Key:
OUACXMUEZBQRBJ-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cnc(nc1C(F)(F)F)N
Properties
Complexity:
259  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.057g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
235.166g/mol
Monoisotopic Mass:
235.057g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
78.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Literature
Title Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Structure-activity relationship studies of ethyl 2-[(3-methyl-2,5-dioxo(3-pyrrolinyl))amino]-4-(trifluoromethyl)pyrimidine-5-carboxylate: an inhibitor of AP-1 and NF-kappaB mediated gene expression. Bioorganic & medicinal chemistry letters 20020916
Properties