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1169698-46-7

1169698-46-7 | 2,4-Pyrimidinediamine, 5-bromo-N4-cyclopentyl-

CAS No: 1169698-46-7 Catalog No: AG000DFJ MDL No:MFCD23702040

Product Description

Catalog Number:
AG000DFJ
Chemical Name:
2,4-Pyrimidinediamine, 5-bromo-N4-cyclopentyl-
CAS Number:
1169698-46-7
Molecular Formula:
C9H13BrN4
Molecular Weight:
257.1303
MDL Number:
MFCD23702040
IUPAC Name:
5-bromo-4-N-cyclopentylpyrimidine-2,4-diamine
InChI:
InChI=1S/C9H13BrN4/c10-7-5-12-9(11)14-8(7)13-6-3-1-2-4-6/h5-6H,1-4H2,(H3,11,12,13,14)
InChI Key:
QMBGDPSPFPVKGS-UHFFFAOYSA-N
SMILES:
Brc1cnc(nc1NC1CCCC1)N

Properties

Complexity:
184  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.032g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
257.135g/mol
Monoisotopic Mass:
256.032g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
63.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  

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