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89445-86-3 | 2,4-Pyrimidinediamine, 5-[(8-methoxy-4-methyl-6-quinolinyl)methyl]-
CAS No: 89445-86-3 Catalog No: AG0042WN MDL No:
Product Description
Catalog Number:
AG0042WN
Chemical Name:
2,4-Pyrimidinediamine, 5-[(8-methoxy-4-methyl-6-quinolinyl)methyl]-
CAS Number:
89445-86-3
Molecular Formula:
C16H17N5O
Molecular Weight:
295.3391
IUPAC Name:
5-[(8-methoxy-4-methylquinolin-6-yl)methyl]pyrimidine-2,4-diamine
InChI:
InChI=1S/C16H17N5O/c1-9-3-4-19-14-12(9)6-10(7-13(14)22-2)5-11-8-20-16(18)21-15(11)17/h3-4,6-8H,5H2,1-2H3,(H4,17,18,20,21)
InChI Key:
PNIDNYHVEDLMSB-UHFFFAOYSA-N
SMILES:
COc1cc(Cc2cnc(nc2N)N)cc2c1nccc2C
Properties
Complexity:
368
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.143g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
295.346g/mol
Monoisotopic Mass:
295.143g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
99.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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