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Home Aminos 2,3-Diamino-6-(trifluoromethyl)-4(3H)-pyrimidinone

2,3-Diamino-6-(trifluoromethyl)-4(3H)-pyrimidinone

CAS No.:
95095-71-9
Catalog Number:
AG00IIQF
Molecular Formula:
C5H5F3N4O
Molecular Weight:
194.1146
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$38
- +
5g
97%
In Stock USA
United States
$169
- +
25g
97%
In Stock USA
United States
$775
- +
Product Description
Catalog Number:
AG00IIQF
Chemical Name:
2,3-Diamino-6-(trifluoromethyl)-4(3H)-pyrimidinone
CAS Number:
95095-71-9
Molecular Formula:
C5H5F3N4O
Molecular Weight:
194.1146
MDL Number:
MFCD00068010
IUPAC Name:
2,3-diamino-6-(trifluoromethyl)pyrimidin-4-one
InChI:
InChI=1S/C5H5F3N4O/c6-5(7,8)2-1-3(13)12(10)4(9)11-2/h1H,10H2,(H2,9,11)
InChI Key:
RXJGGWLLRAKHDL-UHFFFAOYSA-N
SMILES:
Nn1c(N)nc(cc1=O)C(F)(F)F
Properties
Complexity:
305  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.042g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
194.117g/mol
Monoisotopic Mass:
194.042g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
84.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
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
Properties