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CS-W001157 4
Total: USD 88.00

5-Fluoropyrimidin-2(1H)-one

  • CAS No. 2022-78-8

  • Cat. No. CS-W008541
  • Purity≥97%
  • MDL No.None

*For research and further manufacturing use only, not for direct human use.

5-Fluoropyrimidin-2(1H)-one|CS-W008541

Structure of 2022-78-8

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General Information

  • CAS No. 2022-78-8
  • Cat. No. CS-W008541
  • Purity ≥97%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₄H₃FN₂O
  • Molecular Weight 114.08
  • Synonym(s) 5-Fluoropyrimidin-2-one
  • SMILES O=C1NC=C(F)C=N1

Description

5-Fluoropyrimidin-2(1H)-one is a bench-stable, electron-deficient heterocycle featuring a fluorine atom at the C5 position and a carbonyl group at C2. This structural motif integrates readily into pharmaceutical scaffolds, offering enhanced metabolic stability and targeted hydrogen-bonding interactions in drug design.

Application

5-Fluoropyrimidin-2(1H)-one serves as a versatile building block in medicinal chemistry, enabling efficient access to fluorinated heterocyclic scaffolds. Its well-established reactivity facilitates nucleophilic substitution at C5 and functionalization at C4, supporting diverse derivatization for drug discovery applications. The compound exhibits good bench stability and compatibility with standard synthetic protocols, simplifying purification and integration into multi-step sequences.

Safety Information

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GHS Pictogram :
GHS No : GHS05,GHS07
Signal Word : Danger
UN#: 1759
Class : 8
Packing Group : Ⅲ
Hazard Statements : H302-H315-H318-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   45.75
  • LogP   -0.091
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   0

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