Home Aminos 2-{4-[(5-fluoro-4-{[(2,4,6-trifluorophenyl)methyl]imino}-1,4-dihydropyrimidin-2-yl)amino]-1H-pyrazol-1-yl}acetic acid

2-{4-[(5-fluoro-4-{[(2,4,6-trifluorophenyl)methyl]imino}-1,4-dihydropyrimidin-2-yl)amino]-1H-pyrazol-1-yl}acetic acid

CAS No.:
1497203-41-4
Catalog Number:
AG01BCOJ
Molecular Formula:
C16H12F4N6O2
Molecular Weight:
396.2991
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Product Description
Catalog Number:
AG01BCOJ
Chemical Name:
2-{4-[(5-fluoro-4-{[(2,4,6-trifluorophenyl)methyl]imino}-1,4-dihydropyrimidin-2-yl)amino]-1H-pyrazol-1-yl}acetic acid
CAS Number:
1497203-41-4
Molecular Formula:
C16H12F4N6O2
Molecular Weight:
396.2991
MDL Number:
MFCD28954205
IUPAC Name:
2-[4-[[5-fluoro-4-[(2,4,6-trifluorophenyl)methylamino]pyrimidin-2-yl]amino]pyrazol-1-yl]acetic acid
InChI:
InChI=1S/C16H12F4N6O2/c17-8-1-11(18)10(12(19)2-8)4-21-15-13(20)5-22-16(25-15)24-9-3-23-26(6-9)7-14(27)28/h1-3,5-6H,4,7H2,(H,27,28)(H2,21,22,24,25)
InChI Key:
RCWOCVLRCSVVOQ-UHFFFAOYSA-N
SMILES:
OC(=O)Cn1ncc(c1)Nc1[nH]cc(c(=NCc2c(F)cc(cc2F)F)n1)F
Properties
Complexity:
523  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
396.096g/mol
Formal Charge:
0
Heavy Atom Count:
28  
Hydrogen Bond Acceptor Count:
11  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
396.306g/mol
Monoisotopic Mass:
396.096g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties