6-Amino-1,3-dimethyl-1,2,3,4-tetrahydropyrimidine-2,4-dione(6642-31-5) IR2
Molecular FormulaC6H9N3O2
Molecular Weight155.15
InChIInChI=1S/C6H9N3O2/c1-8-4(7)3-5(10)9(2)6(8)11/h3H,7H2,1-2H3
InChIKey VFGRNTYELNYSKJ-UHFFFAOYSA-N
SmilesC1(=O)N(C)C(N)=CC(=O)N1C
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MassMS-NW-8883 6-amino-1,3-dimethyluracil C6H9N3O2 (Mass of molecular ion: 155)
Source Temperature: 250 °C Sample Temperature: 170 °C Direct, 75 eV
15.0 2.6 18.0 1.4 27.0 1.1 28.0 5.8 30.0 13.6 31.0 2.2 40.0 3.5 41.0 7.2 42.0 10.3 43.0 5.4 53.0 1.0 54.0 1.5 55.0 3.9 56.0 3.9 57.0 14.6 58.0 3.1 68.0 8.8 69.0 3.4 70.0 8.2 71.0 1.6 81.0 1.5 82.0 48.3 83.0 2.7 97.0 7.4 98.0 21.3 99.0 2.8 112.0 1.2 126.0 3.7 127.0 12.8 128.0 1.3 155.0 100.0 156.0 10.6
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C6 H9 N3 O2 0.038 g : 0.5 ml DMSO-d6 6-amino-1,3-dimethyluracil 
Assign. Shift(ppm)
A 6.80 B 4.706 C *1 3.250 D *1 3.080
Hz ppm Int.2718.87 6.804 149 1880.98 4.707 355 1299.07 3.251 1000 1230.96 3.081 958
in DMSO-d6
KBr disc
nujol mull
