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127116-70-5 | 2,4-Pyrimidinediamine, 5-bromo-6-(phenylmethoxy)-
CAS No: 127116-70-5 Catalog No: AG000WOS MDL No:
Product Description
Catalog Number:
AG000WOS
Chemical Name:
2,4-Pyrimidinediamine, 5-bromo-6-(phenylmethoxy)-
CAS Number:
127116-70-5
Molecular Formula:
C11H11BrN4O
Molecular Weight:
295.1352
IUPAC Name:
5-bromo-6-phenylmethoxypyrimidine-2,4-diamine
InChI:
InChI=1S/C11H11BrN4O/c12-8-9(13)15-11(14)16-10(8)17-6-7-4-2-1-3-5-7/h1-5H,6H2,(H4,13,14,15,16)
InChI Key:
UFPIUYMVVMDAIY-UHFFFAOYSA-N
SMILES:
Nc1nc(OCc2ccccc2)c(c(n1)N)Br
Properties
Complexity:
238
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.012g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
295.14g/mol
Monoisotopic Mass:
294.012g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
87A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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