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5-(1,3-Benzodioxol-5-ylmethyl)-2,4-pyrimidinediamine
SpectraBase Compound ID 1xr8jywUHP
InChI InChI=1S/C12H12N4O2/c13-11-8(5-15-12(14)16-11)3-7-1-2-9-10(4-7)18-6-17-9/h1-2,4-5H,3,6H2,(H4,13,14,15,16)
InChIKey YBIRDHJXPIORJB-UHFFFAOYSA-N
Mol Weight 244.25 g/mol
Molecular Formula C12H12N4O2
Exact Mass 244.096026 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L7hBwZTlukP
Name 5-(1,3-Benzodioxol-5-ylmethyl)-2,4-pyrimidinediamine
CAS Registry Number 13932-40-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H12N4O2
InChI InChI=1S/C12H12N4O2/c13-11-8(5-15-12(14)16-11)3-7-1-2-9-10(4-7)18-6-17-9/h1-2,4-5H,3,6H2,(H4,13,14,15,16)
InChIKey YBIRDHJXPIORJB-UHFFFAOYSA-N
Molecular Weight 244.254 g/mol
SMILES Nc1c(cnc(n1)N)Cc1cc2OCOc2cc1
SPLASH splash10-0006-4590000000-78412154a8400248ea9d
Source of Spectrum NP-6-7327-0
Synonyms 2,4-Diamino-5-piperonylpyrimidine 2,4-Pyrimidinediamine, 5-(1,3-benzodioxol-5-ylmethyl)- 5-(1,3-benzodioxol-5-ylmethyl)pyrimidine-2,4-diamine
Wiley ID 1105938