5-(1,3-Benzodioxol-5-ylmethyl)-2,4-pyrimidinediamine

CAS Registry Number®

13932-40-6

CAS Name

5-(1,3-Benzodioxol-5-ylmethyl)-2,4-pyrimidinediamine

Molecular Formula

C12H12N4O2

Molecular Mass

244.25

Cite this Page

5-(1,3-Benzodioxol-5-ylmethyl)-2,4-pyrimidinediamine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=13932-40-6 (retrieved 2025-01-15) (CAS RN: 13932-40-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    238 °C

Source(s)

Other Names and Identifiers

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

InChIKey=YBIRDHJXPIORJB-UHFFFAOYSA-N

SMILES

C(C=1C=C2C(=CC1)OCO2)C=3C(N)=NC(N)=NC3

Canonical SMILES

N=1C=C(C(=NC1N)N)CC2=CC=C3OCOC3=C2

Other Names for this Substance

  • 2,4-Pyrimidinediamine, 5-(1,3-benzodioxol-5-ylmethyl)-
  • Pyrimidine, 2,4-diamino-5-piperonyl-
  • 5-(1,3-Benzodioxol-5-ylmethyl)-2,4-pyrimidinediamine
  • 2,4-Diamino-5-piperonylpyrimidine
  • WR 40070

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Deleted or Replaced CAS Registry Numbers

57514-14-4