200,000+ products from a single source!
sales@angenechem.com
149771-09-5 | 5-Pyrimidinecarboxylic acid, 2-amino-4-(trifluoromethyl)-, ethyl ester
CAS No: 149771-09-5 Catalog No: AG001M0O MDL No:MFCD00052070
Product Description
Catalog Number:
AG001M0O
Chemical Name:
5-Pyrimidinecarboxylic acid, 2-amino-4-(trifluoromethyl)-, ethyl ester
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 |
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.