Home Sulfos 4-Pyrimidinamine, 5-bromo-2-(methylsulfonyl)-

4-Pyrimidinamine, 5-bromo-2-(methylsulfonyl)-

CAS No.:
1379324-53-4
Catalog Number:
AG00145E
Molecular Formula:
C5H6BrN3O2S
Molecular Weight:
252.0890
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Product Description
Catalog Number:
AG00145E
Chemical Name:
4-Pyrimidinamine, 5-bromo-2-(methylsulfonyl)-
CAS Number:
1379324-53-4
Molecular Formula:
C5H6BrN3O2S
Molecular Weight:
252.0890
MDL Number:
MFCD13193626
IUPAC Name:
5-bromo-2-methylsulfonylpyrimidin-4-amine
InChI:
InChI=1S/C5H6BrN3O2S/c1-12(10,11)5-8-2-3(6)4(7)9-5/h2H,1H3,(H2,7,8,9)
InChI Key:
QMDXZZOONBDILU-UHFFFAOYSA-N
SMILES:
Brc1cnc(nc1N)S(=O)(=O)C
Properties
Complexity:
250  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.936g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
252.086g/mol
Monoisotopic Mass:
250.936g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
94.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1  
Properties