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89445-94-3 | 2,4-Pyrimidinediamine, 5-[(8-methoxy-2,4-dimethyl-6-quinolinyl)methyl]-
CAS No: 89445-94-3 Catalog No: AG0044FD MDL No:
Product Description
Catalog Number:
AG0044FD
Chemical Name:
2,4-Pyrimidinediamine, 5-[(8-methoxy-2,4-dimethyl-6-quinolinyl)methyl]-
CAS Number:
89445-94-3
Molecular Formula:
C17H19N5O
Molecular Weight:
309.3657
IUPAC Name:
5-[(8-methoxy-2,4-dimethylquinolin-6-yl)methyl]pyrimidine-2,4-diamine
InChI:
InChI=1S/C17H19N5O/c1-9-4-10(2)21-15-13(9)6-11(7-14(15)23-3)5-12-8-20-17(19)22-16(12)18/h4,6-8H,5H2,1-3H3,(H4,18,19,20,22)
InChI Key:
SCMXVUVXPVNIHS-UHFFFAOYSA-N
SMILES:
COc1cc(Cc2cnc(nc2N)N)cc2c1nc(C)cc2C
Properties
Complexity:
395
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
309.159g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
309.373g/mol
Monoisotopic Mass:
309.159g/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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