5-ACETYL-2-AMINO-4-METHYLPYRIMIDINE(66373-25-9) MS
Product Name5-ACETYL-2-AMINO-4-METHYLPYRIMIDINE
CAS66373-25-9
Molecular FormulaC7H9N3O
Molecular Weight151.17
InChIInChI=1S/C7H9N3O/c1-4-6(5(2)11)3-9-7(8)10-4/h3H,1-2H3,(H2,8,9,10)
InChIKey LWZQQJIAMSDELT-UHFFFAOYSA-N
SmilesC(=O)(C1=CN=C(N)N=C1C)C
-
MassMS-IW-2752 5-acetyl-2-amino-4-methylpyrimidine C7H9N3O (Mass of molecular ion: 151)
Source Temperature: 120 °C Sample Temperature: 100 °C Direct, 75 eV
15.0 1.5 27.0 1.0 28.0 3.5 38.0 1.7 39.0 4.4 40.0 1.8 42.0 4.2 43.0 12.2 51.0 1.2 52.0 2.0 53.0 10.3 54.0 2.5 66.0 3.9 67.0 5.6 68.0 2.7 69.0 1.6 81.0 5.4 94.0 5.0 95.0 11.3 108.0 7.4 109.0 1.7 136.0 100.0 137.0 7.9 151.0 45.1 152.0 4.0
400 MHz in DMSO-d6
-
1H NMR 399.65 MHz C7 H9 N3 O 0.042 g : 0.5 ml DMSO-d6 5-acetyl-2-amino-4-methylpyrimidine 
Assign. Shift(ppm)
A 8.767 B 7.39 C *1 2.494 D *1 2.455
Hz ppm Int.3504.03 8.768 317 2951.42 7.386 160 996.83 2.495 979 989.75 2.477 32 989.38 2.476 32 981.32 2.456 1000
KBr disc
nujol mull
