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2-{[2-(2,5-dimethyl-1H-pyrrol-1-yl)ethyl]sulfanyl}-4,6-pyrimidinediamine
SpectraBase Compound ID L6b8fdBVPh9
InChI InChI=1S/C12H17N5S/c1-8-3-4-9(2)17(8)5-6-18-12-15-10(13)7-11(14)16-12/h3-4,7H,5-6H2,1-2H3,(H4,13,14,15,16)
InChIKey XZIXBSMGJUUCRI-UHFFFAOYSA-N
Mol Weight 263.36 g/mol
Molecular Formula C12H17N5S
Exact Mass 263.120467 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FPJmSHtnLZW
Name 2-{[2-(2,5-dimethyl-1H-pyrrol-1-yl)ethyl]sulfanyl}-4,6-pyrimidinediamine
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C12H17N5S/c1-8-3-4-9(2)17(8)5-6-18-12-15-10(13)7-11(14)16-12/h3-4,7H,5-6H2,1-2H3,(H4,13,14,15,16)
InChIKey XZIXBSMGJUUCRI-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_4932
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: 9677352; UBI_ID: UBI-004933
Synonyms 6-amino-2-{[2-(2,5-dimethyl-1H-pyrrol-1-yl)ethyl]sulfanyl}-4-pyrimidinylamine
Temperature 318 °C