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89446-00-4 | 2,4-Pyrimidinediamine, 5-[(8-amino-4-methyl-6-quinolinyl)methyl]-
CAS No: 89446-00-4 Catalog No: AG0043EU MDL No:
Product Description
Catalog Number:
AG0043EU
Chemical Name:
2,4-Pyrimidinediamine, 5-[(8-amino-4-methyl-6-quinolinyl)methyl]-
CAS Number:
89446-00-4
Molecular Formula:
C15H16N6
Molecular Weight:
280.3277
IUPAC Name:
5-[(8-amino-4-methylquinolin-6-yl)methyl]pyrimidine-2,4-diamine
InChI:
InChI=1S/C15H16N6/c1-8-2-3-19-13-11(8)5-9(6-12(13)16)4-10-7-20-15(18)21-14(10)17/h2-3,5-7H,4,16H2,1H3,(H4,17,18,20,21)
InChI Key:
KQQMBGTVDPCLIU-UHFFFAOYSA-N
SMILES:
Nc1ncc(c(n1)N)Cc1cc(N)c2c(c1)c(C)ccn2
Properties
Complexity:
351
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.144g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
280.335g/mol
Monoisotopic Mass:
280.144g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
117A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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