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Pyrimethamine

CAS Registry Number®

58-14-0

CAS Name

Pyrimethamine

Molecular Formula

C12H13ClN4

Molecular Mass

248.71

Cite this Page

Pyrimethamine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=58-14-0 (retrieved 2024-12-22) (CAS RN: 58-14-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    233.5 °C

Source(s)

  • (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)

Other Names and Identifiers

InChI

InChI=1S/C12H13ClN4/c1-2-9-10(11(14)17-12(15)16-9)7-3-5-8(13)6-4-7/h3-6H,2H2,1H3,(H4,14,15,16,17)

InChIKey

InChIKey=WKSAUQYGYAYLPV-UHFFFAOYSA-N

SMILES

C(C)C=1C(=C(N)N=C(N)N1)C2=CC=C(Cl)C=C2

Canonical SMILES

ClC1=CC=C(C=C1)C=2C(=NC(=NC2CC)N)N

Other Names for this Substance

  • 2,4-Pyrimidinediamine, 5-(4-chlorophenyl)-6-ethyl-
  • Pyrimidine, 2,4-diamino-5-(p-chlorophenyl)-6-ethyl-
  • 5-(4-Chlorophenyl)-6-ethyl-2,4-pyrimidinediamine
  • 4753 R.P.
  • BW 50-63

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