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89445-85-2 | 2,4-Pyrimidinediamine, 5-[[8-(2-methoxyethoxy)-6-quinolinyl]methyl]-
CAS No: 89445-85-2 Catalog No: AG0044FG MDL No:
Product Description
Catalog Number:
AG0044FG
Chemical Name:
2,4-Pyrimidinediamine, 5-[[8-(2-methoxyethoxy)-6-quinolinyl]methyl]-
CAS Number:
89445-85-2
Molecular Formula:
C17H19N5O2
Molecular Weight:
325.3651
IUPAC Name:
5-[[8-(2-methoxyethoxy)quinolin-6-yl]methyl]pyrimidine-2,4-diamine
InChI:
InChI=1S/C17H19N5O2/c1-23-5-6-24-14-9-11(7-12-3-2-4-20-15(12)14)8-13-10-21-17(19)22-16(13)18/h2-4,7,9-10H,5-6,8H2,1H3,(H4,18,19,21,22)
InChI Key:
JPJZDOMKOVMUEI-UHFFFAOYSA-N
SMILES:
COCCOc1cc(Cc2cnc(nc2N)N)cc2c1nccc2
Properties
Complexity:
386
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
325.154g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
325.372g/mol
Monoisotopic Mass:
325.154g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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