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151331-80-5 | 2-Pyrimidinamine, N-[3-(ethylsulfonyl)-2-pyridinyl]-4,6-dimethoxy-
CAS No: 151331-80-5 Catalog No: AG001N9Z MDL No:
Product Description
Catalog Number:
AG001N9Z
Chemical Name:
2-Pyrimidinamine, N-[3-(ethylsulfonyl)-2-pyridinyl]-4,6-dimethoxy-
CAS Number:
151331-80-5
Molecular Formula:
C13H16N4O4S
Molecular Weight:
324.3555
IUPAC Name:
N-(3-ethylsulfonylpyridin-2-yl)-4,6-dimethoxypyrimidin-2-amine
InChI:
InChI=1S/C13H16N4O4S/c1-4-22(18,19)9-6-5-7-14-12(9)17-13-15-10(20-2)8-11(16-13)21-3/h5-8H,4H2,1-3H3,(H,14,15,16,17)
InChI Key:
AFOZBVKCZXHDER-UHFFFAOYSA-N
SMILES:
COc1cc(OC)nc(n1)Nc1ncccc1S(=O)(=O)CC
UNII:
26UT80P0SK
Properties
Complexity:
430
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
324.089g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
324.355g/mol
Monoisotopic Mass:
324.089g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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