5-(1-Methylbutyl)-2,4,6(1H,3H,5H)-pyrimidinetrione

CAS Registry Number®

83-29-4

CAS Name

5-(1-Methylbutyl)-2,4,6(1H,3H,5H)-pyrimidinetrione

Molecular Formula

C9H14N2O3

Molecular Mass

198.22

Cite this Page

5-(1-Methylbutyl)-2,4,6(1H,3H,5H)-pyrimidinetrione.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=83-29-4 (retrieved 2024-11-22) (CAS RN: 83-29-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    166 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C9H14N2O3/c1-3-4-5(2)6-7(12)10-9(14)11-8(6)13/h5-6H,3-4H2,1-2H3,(H2,10,11,12,13,14)

InChIKey

InChIKey=QSELDKYOARDOCZ-UHFFFAOYSA-N

SMILES

C(CCC)(C)C1C(=O)NC(=O)NC1=O

Canonical SMILES

O=C1NC(=O)C(C(=O)N1)C(C)CCC

Other Names for this Substance

  • 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(1-methylbutyl)-
  • Barbituric acid, 5-(1-methylbutyl)-
  • 5-(1-Methylbutyl)-2,4,6(1H,3H,5H)-pyrimidinetrione
  • 5-(sec-Pentyl)barbituric acid
  • 5-(1-Methylbutyl)barbituric acid

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Deleted or Replaced CAS Registry Numbers

4508-67-2

CAS INSIGHTSTM
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