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2,4-Diamino-5-[3,5-dimethoxy-4-[p-aminophenoxy]benzyl]pyrimidine
SpectraBase Compound ID HRGr4Vo4DQ4
InChI InChI=1S/C19H21N5O3/c1-25-15-8-11(7-12-10-23-19(22)24-18(12)21)9-16(26-2)17(15)27-14-5-3-13(20)4-6-14/h3-6,8-10H,7,20H2,1-2H3,(H4,21,22,23,24)
InChIKey BAHLFRPSXQSPTQ-UHFFFAOYSA-N
Mol Weight 367.41 g/mol
Molecular Formula C19H21N5O3
Exact Mass 367.16444 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4RvPols7863
Name 2,4-Diamino-5-[3,5-dimethoxy-4-[p-aminophenoxy]benzyl]pyrimidine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 367.164439553 u
Formula C19H21N5O3
InChI InChI=1S/C19H21N5O3/c1-25-15-8-11(7-12-10-23-19(22)24-18(12)21)9-16(26-2)17(15)27-14-5-3-13(20)4-6-14/h3-6,8-10H,7,20H2,1-2H3,(H4,21,22,23,24)
InChIKey BAHLFRPSXQSPTQ-UHFFFAOYSA-N
Molecular Weight 367.409 g/mol
SMILES C1(=C(C=C(C=C1OC)CC1=CN=C(N)N=C1N)OC)OC1=CC=C(C=C1)N