2-(4-Aminobenzenesulfonamido)-4,6-dimethylpyrimidine(57-68-1) IR1
Product Name2-(4-Aminobenzenesulfonamido)-4,6-dimethylpyrimidine
CAS57-68-1
Molecular FormulaC12H14N4O2S
Molecular Weight278.33
InChIInChI=1S/C12H14N4O2S/c1-8-7-9(2)15-12(14-8)16-19(17,18)11-5-3-10(13)4-6-11/h3-7H,13H2,1-2H3,(H,14,15,16)
InChIKey ASWVTGNCAZCNNR-UHFFFAOYSA-N
SmilesC1(S(NC2=NC(C)=CC(C)=N2)(=O)=O)=CC=C(N)C=C1
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MassMS-IW-0573 N(1)-(4,6-dimethyl-2-pyrimidinyl)sulfanilamide C12H14N4O2S (Mass of molecular ion: 278)
Source Temperature: 200 °C Sample Temperature: 160 °C Direct, 75 eV
28.0 3.0 39.0 5.3 40.0 1.0 41.0 1.8 42.0 4.0 43.0 1.4 52.0 1.3 53.0 1.3 54.0 2.5 63.0 1.3 64.0 2.1 65.0 20.6 66.0 4.1 67.0 2.5 80.0 1.7 81.0 1.1 82.0 1.9 91.0 2.1 92.0 25.1 93.0 3.4 95.0 1.0 96.0 2.2 106.0 2.9 107.0 5.0 108.0 10.9 123.0 4.2 124.0 1.2 140.0 1.9 156.0 2.8 198.0 1.2 199.0 1.8 212.0 1.4 213.0 63.6 214.0 100.0 215.0 14.0
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C12 H14 N4 O2 S 0.040 g : 0.5 ml DMSO-d6 N(1)-(4,6-dimethyl-2-pyrimidinyl)sulfanilamide 
Assign. Shift(ppm)
A 11.0 B 7.657 C 6.728 D 6.570 E 5.98 F 2.245
Hz ppm Int.3064.93 7.670 159 3063.09 7.665 46 3057.96 7.652 54 3056.13 7.648 166 2688.88 6.729 147 2632.65 6.588 21 2630.09 6.581 172 2628.26 6.577 48 2623.13 6.564 53 2621.30 6.559 165 2387.94 5.976 135 897.33 2.246 1000
in DMSO-d6
KBr disc
nujol mull
