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101348-32-7 | Pyrido[2,3-d]pyrimidine-2,4-diamine, 6-(bromomethyl)-5-methyl-
CAS No: 101348-32-7 Catalog No: AG0004A0 MDL No:
Product Description
Catalog Number:
AG0004A0
Chemical Name:
Pyrido[2,3-d]pyrimidine-2,4-diamine, 6-(bromomethyl)-5-methyl-
CAS Number:
101348-32-7
Molecular Formula:
C9H10BrN5
Molecular Weight:
268.1132
IUPAC Name:
6-(bromomethyl)-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine
InChI:
InChI=1S/C9H10BrN5/c1-4-5(2-10)3-13-8-6(4)7(11)14-9(12)15-8/h3H,2H2,1H3,(H4,11,12,13,14,15)
InChI Key:
WDKGMVOPUGQGQY-UHFFFAOYSA-N
SMILES:
BrCc1cnc2c(c1C)c(N)nc(n2)N
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.012g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
268.118g/mol
Monoisotopic Mass:
267.012g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
90.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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