Pyrimitate

CAS Registry Number®

5221-49-8

CAS Name

Pyrimitate

Molecular Formula

C11H20N3O3PS

Molecular Mass

305.33

Cite this Page

Pyrimitate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=5221-49-8 (retrieved 2024-11-21) (CAS RN: 5221-49-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    130 °C

  • Melting Point (1)

    <25 °C

Source(s)

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

Other Names and Identifiers

InChI

InChI=1S/C11H20N3O3PS/c1-6-15-18(19,16-7-2)17-10-8-9(3)12-11(13-10)14(4)5/h8H,6-7H2,1-5H3

InChIKey

InChIKey=MLDVVJZNWASRQL-UHFFFAOYSA-N

SMILES

O(P(OCC)(OCC)=S)C1=NC(N(C)C)=NC(C)=C1

Canonical SMILES

S=P(OC1=NC(=NC(=C1)C)N(C)C)(OCC)OCC

Other Names for this Substance

  • Phosphorothioic acid, O-[2-(dimethylamino)-6-methyl-4-pyrimidinyl] O,O-diethyl ester
  • 4-Pyrimidinol, 2-(dimethylamino)-6-methyl-, O-ester with O,O-diethyl phosphorothioate
  • ICI 29661
  • O,O-Diethyl O-[2-dimethylamino-6-methyl-4-pyrimidinyl] phosphorothioate
  • O,O-Diethyl O-(2-dimethylamino-4-methylpyrimidin-6-yl)phosphorothionate

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CAS INSIGHTSTM
Targeted protein degrader structure, illustration