Home Halogens 2-N-(4-bromophenyl)-5-fluoro-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine

2-N-(4-bromophenyl)-5-fluoro-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine

CAS No.:
1956356-26-5
Catalog Number:
AG01DFY5
Molecular Formula:
C16H13BrFN5
Molecular Weight:
374.2103
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Product Description
Catalog Number:
AG01DFY5
Chemical Name:
2-N-(4-bromophenyl)-5-fluoro-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CAS Number:
1956356-26-5
Molecular Formula:
C16H13BrFN5
Molecular Weight:
374.2103
MDL Number:
MFCD28992006
IUPAC Name:
2-N-(4-bromophenyl)-5-fluoro-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
InChI:
InChI=1S/C16H13BrFN5/c17-11-4-6-12(7-5-11)22-16-21-10-14(18)15(23-16)20-9-13-3-1-2-8-19-13/h1-8,10H,9H2,(H2,20,21,22,23)
InChI Key:
UPQYPWYLFJYZAR-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)Nc1ncc(c(=NCc2ccccn2)[nH]1)F
Properties
Complexity:
353  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
373.034g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
374.217g/mol
Monoisotopic Mass:
373.034g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
62.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6  
Properties