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875147-46-9 | Phenol, 3-[[[5-(2,4-dimethoxy-5-pyrimidinyl)-3-pyridinyl]amino]methyl]-
CAS No: 875147-46-9 Catalog No: AG004HJT MDL No:
Product Description
Catalog Number:
AG004HJT
Chemical Name:
Phenol, 3-[[[5-(2,4-dimethoxy-5-pyrimidinyl)-3-pyridinyl]amino]methyl]-
CAS Number:
875147-46-9
Molecular Formula:
C18H18N4O3
Molecular Weight:
338.3605
IUPAC Name:
3-[[[5-(2,4-dimethoxypyrimidin-5-yl)pyridin-3-yl]amino]methyl]phenol
InChI:
InChI=1S/C18H18N4O3/c1-24-17-16(11-21-18(22-17)25-2)13-7-14(10-19-9-13)20-8-12-4-3-5-15(23)6-12/h3-7,9-11,20,23H,8H2,1-2H3
InChI Key:
VJCKXZFEFHOXOC-UHFFFAOYSA-N
SMILES:
COc1ncc(c(n1)OC)c1cncc(c1)NCc1cccc(c1)O
Properties
Complexity:
401
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
338.138g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
338.367g/mol
Monoisotopic Mass:
338.138g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
89.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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