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2,4-Diamino-6-(4-methylphenyl)-5-pyrimidine-carbonitrile
SpectraBase Compound ID KErGfwERwZT
InChI InChI=1S/C12H11N5/c1-7-2-4-8(5-3-7)10-9(6-13)11(14)17-12(15)16-10/h2-5H,1H3,(H4,14,15,16,17)
InChIKey LVGLJQGAUXWOBP-UHFFFAOYSA-N
Mol Weight 225.25 g/mol
Molecular Formula C12H11N5
Exact Mass 225.101445 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DDplQipfkdr
Name 2,4-Diamino-6-(4-methylphenyl)-5-pyrimidine-carbonitrile
Appearance Yellow crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H11N5
InChI InChI=1S/C12H11N5/c1-7-2-4-8(5-3-7)10-9(6-13)11(14)17-12(15)16-10/h2-5H,1H3,(H4,14,15,16,17)
InChIKey LVGLJQGAUXWOBP-UHFFFAOYSA-N
Instrument Name Shimadzu QP 1100EX
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0009.213
Molecular Weight 225.255 g/mol
SMILES Nc1nc(nc(c1C#N)-c1ccc(cc1)C)N
SPLASH splash10-004l-9570000000-13b9e8e945cede0b0e55
Source of Spectrum ARK-2008-120-4d
Wiley ID 1869411