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89445-87-4 | 2,4-Pyrimidinediamine, 5-[(4-methyl-6-quinolinyl)methyl]-
CAS No: 89445-87-4 Catalog No: AG0044FF MDL No:
Product Description
Catalog Number:
AG0044FF
Chemical Name:
2,4-Pyrimidinediamine, 5-[(4-methyl-6-quinolinyl)methyl]-
CAS Number:
89445-87-4
Molecular Formula:
C15H15N5
Molecular Weight:
265.3131
IUPAC Name:
5-[(4-methylquinolin-6-yl)methyl]pyrimidine-2,4-diamine
InChI:
InChI=1S/C15H15N5/c1-9-4-5-18-13-3-2-10(7-12(9)13)6-11-8-19-15(17)20-14(11)16/h2-5,7-8H,6H2,1H3,(H4,16,17,19,20)
InChI Key:
WHLMSTTWJMOYPJ-UHFFFAOYSA-N
SMILES:
Nc1ncc(c(n1)N)Cc1ccc2c(c1)c(C)ccn2
Properties
Complexity:
323
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.133g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
265.32g/mol
Monoisotopic Mass:
265.133g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
90.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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