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89446-56-0

89446-56-0 | 2,4-Pyrimidinediamine, 5-[(2-methoxy-4-methyl-7-quinolinyl)methyl]-

CAS No: 89446-56-0 Catalog No: AG0044F1 MDL No:

Product Description

Catalog Number:
AG0044F1
Chemical Name:
2,4-Pyrimidinediamine, 5-[(2-methoxy-4-methyl-7-quinolinyl)methyl]-
CAS Number:
89446-56-0
Molecular Formula:
C16H17N5O
Molecular Weight:
295.3391
IUPAC Name:
5-[(2-methoxy-4-methylquinolin-7-yl)methyl]pyrimidine-2,4-diamine
InChI:
InChI=1S/C16H17N5O/c1-9-5-14(22-2)20-13-7-10(3-4-12(9)13)6-11-8-19-16(18)21-15(11)17/h3-5,7-8H,6H2,1-2H3,(H4,17,18,19,21)
InChI Key:
KTKIRQFPHXUYGX-UHFFFAOYSA-N
SMILES:
COc1cc(C)c2c(n1)cc(cc2)Cc1cnc(nc1N)N

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:
2.4  

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