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(5E)-5-({[3-(dimethylamino)propyl]amino}methylene)-1-(2-fluorophenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione
SpectraBase Compound ID Ho39KScgnRo
InChI InChI=1S/C16H19FN4O3/c1-20(2)9-5-8-18-10-11-14(22)19-16(24)21(15(11)23)13-7-4-3-6-12(13)17/h3-4,6-7,10,18H,5,8-9H2,1-2H3,(H,19,22,24)/b11-10+
InChIKey MZCIQWQYSRMMCR-ZHACJKMWSA-N
Mol Weight 334.35 g/mol
Molecular Formula C16H19FN4O3
Exact Mass 334.144119 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DXYLpx2AA2R
Name (5E)-5-({[3-(dimethylamino)propyl]amino}methylene)-1-(2-fluorophenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione
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/C16H19FN4O3/c1-20(2)9-5-8-18-10-11-14(22)19-16(24)21(15(11)23)13-7-4-3-6-12(13)17/h3-4,6-7,10,18H,5,8-9H2,1-2H3,(H,19,22,24)/b11-10+
InChIKey MZCIQWQYSRMMCR-ZHACJKMWSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_15776
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: C74611; Labnumber: KKA-9909-11217; SBI_ID: SBI-015779
Synonyms 5-({[3-(dimethylamino)propyl]amino}methylene)-1-(2-fluorophenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione
Temperature 308 °C