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5-Cyano-4-(4-methoxyphenyl)-2-(4-methylaminobutyl)-6-morpholinopyrimidine

View entire compound with spectra: 1 NMR

5-Cyano-4-(4-methoxyphenyl)-2-(4-methylaminobutyl)-6-morpholinopyrimidine
SpectraBase Compound ID A01Wq9HodVA
InChI InChI=1S/C21H27N5O2/c1-23-10-4-3-5-19-24-20(16-6-8-17(27-2)9-7-16)18(15-22)21(25-19)26-11-13-28-14-12-26/h6-9,23H,3-5,10-14H2,1-2H3
InChIKey VTDPGFISJDHATC-UHFFFAOYSA-N
Mol Weight 381.48 g/mol
Molecular Formula C21H27N5O2
Exact Mass 381.216475 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3Wth6NXWAHY
Name 5-Cyano-4-(4-methoxyphenyl)-2-(4-methylaminobutyl)-6-morpholinopyrimidine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 381.216475127 u
Formula C21H27N5O2
InChI InChI=1S/C21H27N5O2/c1-23-10-4-3-5-19-24-20(16-6-8-17(27-2)9-7-16)18(15-22)21(25-19)26-11-13-28-14-12-26/h6-9,23H,3-5,10-14H2,1-2H3
InChIKey VTDPGFISJDHATC-UHFFFAOYSA-N
Molecular Weight 381.480 g/mol
SMILES C1=CC(=CC=C1OC)C1=NC(=NC(=C1C#N)N1CCOCC1)CCCCNC