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178403-35-5

178403-35-5 | N-(4,6-Dimethoxy-2-pyrimidinyl)-N-[3-(trifluoromethyl)-2-pyridinyl]urea

CAS No: 178403-35-5 Catalog No: AG003AR8 MDL No:

Product Description

Catalog Number:
AG003AR8
Chemical Name:
N-(4,6-Dimethoxy-2-pyrimidinyl)-N-[3-(trifluoromethyl)-2-pyridinyl]urea
CAS Number:
178403-35-5
Molecular Formula:
C13H12F3N5O3
Molecular Weight:
343.2613
IUPAC Name:
1-(4,6-dimethoxypyrimidin-2-yl)-1-[3-(trifluoromethyl)pyridin-2-yl]urea
InChI:
InChI=1S/C13H12F3N5O3/c1-23-8-6-9(24-2)20-12(19-8)21(11(17)22)10-7(13(14,15)16)4-3-5-18-10/h3-6H,1-2H3,(H2,17,22)
InChI Key:
WIGINONAXQYKLJ-UHFFFAOYSA-N
SMILES:
COc1cc(OC)nc(n1)N(c1ncccc1C(F)(F)F)C(=O)N

Properties

Complexity:
428  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
343.089g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
9  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
343.266g/mol
Monoisotopic Mass:
343.089g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  

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