6-Amino-5-fluoro-2(1H)-pyrimidinone | CAS No. 2022-85-7

6-Amino-5-fluoro-2(1H)-pyrimidinone

Basic Information

CAS Number

2022-85-7

Molecular Formula

C4H4FN3O

Molecular Weight

129.09 g/mol

AD

Basic Physical Properties

Physical State

Powder

Melting Point

298-300 °C (dec.)

Boiling Point

298

Water Solubility

1.5g/100mL (25 ºC)

Flash Point

296

Refractive Index

1.613

C1=NC(=O)NC(=C1F)N

InChI

InChI=1S/C4H4FN3O/c5-2-1-7-4(9)8-3(2)6/h1H,(H3,6,7,8,9)

InChIKey

XRECTZIEBJDKEO-UHFFFAOYSA-N

LogP

-0.5088000000000001

pKa

3.26(at 25℃)

Topological Polar Surface Area

71.77000000000001 Ų

Hydrogen Bond Donor/Acceptor

3 / 4

Complexity

208

Safety Information

View Safety Information

GHS Hazard Pictograms

H361H361

Hazard Statement

H361 Suspected of damaging fertility or the unborn child
Reproductive toxicity

Hazard Class

Class IRRITANT Class IRRITANT
Class LIGHT SENSITIVE Class LIGHT SENSITIVE

Toxicity

LD50 in mice (mg/kg): >2000 orally and s.c.; 1190 i.p.; 500 i.v. (Grunberg, 1963)

Synonyms & References

English

  • 6-amino-5-fluoro-3-hydropyrimidin-2-one
  • H10295
  • FLUCYTOSINE [INN]
  • KS-1060
  • D01AE21
  • FT-0601273
  • Cytosine, 5-fluoro- (6CI,7CI,8CI)
  • 4-AMINO-5-FLUOROPYRIMIDIN-2(1H)-ONE [WHO-IP]
  • Flucitosina [DCIT]
  • HMS3393M04
  • 4-Amino-5-fluoro-2-hydroxypyrimidine
  • SMR000059047
  • Prestwick2_000934
  • NS00000532
  • SCHEMBL14696800
  • AB00513969
  • 6-amino-5-fluoropyrimidin-2(1H)-one
  • 5-Fluorocytosine, Antibiotic for Culture Media Use Only
  • AB00513969-02
  • FLUCYTOSINE (USP-RS)
  • AKOS004912683
  • Flucytosone
  • FLUCYTOSINUM [WHO-IP LATIN]
  • AKOS030241326
  • Flucytosin
  • NCI60_000093
  • 117969-88-7
  • Flucytosine 2.0 mg/ml in Methanol
  • 5-Fluorocytosine, Vetec(TM) reagent grade, 99%
  • Flourocytosine
  • Ancotil

MDL Number

MFCD02730121

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