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Substance Name: Pyrimidine
RN: 289-95-2
UNII: K8CXK5Q32L
InChIKey: CZPWVGJYEJSRLH-UHFFFAOYSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C4-H4-N2

Molecular Weight

  • 80.0896
 
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Names and Synonyms

Name of Substance

  • Pyrimidine

Synonyms

  • 1,3-Diazabenzene
  • 1,3-Diazine
  • EC 206-026-0
  • EINECS 206-026-0
  • m-Diazine
  • Metadiazine
  • Miazine
  • NSC 89305
  • Pyrimidine
  • UNII-K8CXK5Q32L

Systematic Name

  • Pyrimidine

Registry Numbers

CAS Registry Number

  • 289-95-2

FDA UNII

  • K8CXK5Q32L

System Generated Number

  • 0000289952

Structure Descriptors

InChI

1S/C4H4N2/c1-2-5-4-6-3-1/h1-4H

InChIKey

CZPWVGJYEJSRLH-UHFFFAOYSA-N

Smiles

c1cncnc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 3310mg/kg (3310mg/kg)   Progress in Biochemical Pharmacology. Vol. 1, Pg. 542, 1965.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 22 deg C   EXP
Boiling Point 123.8 deg C   EXP
pKa Dissociation Constant 1.23 (none) 20 EXP
log P (octanol-water) -0.4 (none)   EXP
Water Solubility 1.00E+06 mg/L 25 EXP
Vapor Pressure 12.9 mm Hg 25 EST
Henry's Law Constant 2.92E-06 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.30E-13 cm3/molecule-sec 25 EST

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