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Substance Name: 1-(2-Pyrimidinyl)piperazine
RN: 20980-22-7
UNII: H3B5B38F56
InChIKey: MRBFGEHILMYPTF-UHFFFAOYSA-N

Note

  • Metabolite of buspirone.

Molecular Formula

  • C8-H12-N4

Molecular Weight

  • 164.211
 

Classification Codes

  • Adrenergic Agents
  • Adrenergic alpha-Antagonists
  • Adrenergic Antagonists
  • Anti-Anxiety Agents
  • Central Nervous System Agents
  • Central Nervous System Depressants
  • Drug / Therapeutic Agent
  • Neurotransmitter Agents
  • Psychotropic Drugs
  • Tranquilizing Agents
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Names and Synonyms

Name of Substance

  • 1-(2-Pyrimidinyl)piperazine

Synonyms

  • 1-(2-Pyrimidinyl)piperazine
  • 1-(2-Pyrimidyl)piperazine
  • 1-PP
  • 2-(1-Piperazinyl)pyrimidine
  • 4-(2-Pyrimidinyl)piperazine
  • 4-25-00-02083 (Beilstein Handbook Reference)
  • BRN 0151178
  • EINECS 244-135-5
  • MJ 13653
  • N-(2-Pyrimidinyl)piperazine
  • UNII-H3B5B38F56

Systematic Names

  • 2-(Piperazin-1-yl)pyrimidine
  • Pyrimidine, 2-(1-piperazinyl)-

Registry Numbers

CAS Registry Number

  • 20980-22-7

FDA UNII

  • H3B5B38F56

System Generated Number

  • 0020980227

Structure Descriptors

InChI

InChI=1S/C8H12N4/c1-2-10-8(11-3-1)12-6-4-9-5-7-12/h1-3,9H,4-7H2

InChIKey

MRBFGEHILMYPTF-UHFFFAOYSA-N

Smiles

C1CN(CCN1)c2ncccn2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LD50 unreported 130mg/kg (130mg/kg)   Pharmaceutical Chemistry Journal Vol. 25, Pg. 193, 1991.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 0.49 (none)   EXP
Water Solubility 2.54E+05 mg/L 25 EST
Vapor Pressure 7.36E-04 mm Hg 25 EST
Henry's Law Constant 2.18E-08 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.23E-10 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.