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87568-87-4 | Pyrimidine, 4,4'-(2,6-pyridinediyl)bis[6-ethoxy-2-methyl-
CAS No: 87568-87-4 Catalog No: AG004IZ9 MDL No:
Product Description
Catalog Number:
AG004IZ9
Chemical Name:
Pyrimidine, 4,4'-(2,6-pyridinediyl)bis[6-ethoxy-2-methyl-
CAS Number:
87568-87-4
Molecular Formula:
C19H21N5O2
Molecular Weight:
351.4023
IUPAC Name:
4-ethoxy-6-[6-(6-ethoxy-2-methylpyrimidin-4-yl)pyridin-2-yl]-2-methylpyrimidine
InChI:
InChI=1S/C19H21N5O2/c1-5-25-18-10-16(20-12(3)22-18)14-8-7-9-15(24-14)17-11-19(26-6-2)23-13(4)21-17/h7-11H,5-6H2,1-4H3
InChI Key:
ZMGZISUHHYLYCU-UHFFFAOYSA-N
SMILES:
CCOc1nc(C)nc(c1)c1cccc(n1)c1cc(OCC)nc(n1)C
Properties
Complexity:
391
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
351.17g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
351.41g/mol
Monoisotopic Mass:
351.17g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
82.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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