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6,7-Dihydro-5H-pyrrolo[3,4-d]pyrimidine dihydrochloride

  • CAS No. 157327-51-0

  • Cat. No. CS-0018951
  • Molecule weight194.06
  • Purity≥98%
  • MDL No.MFCD08457576

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

6,7-Dihydro-5H-pyrrolo[3,4-d]pyrimidine dihydrochloride|CS-0018951

Structure of 157327-51-0

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General Information

  • CAS No. 157327-51-0
  • Cat. No. CS-0018951
  • Purity ≥98%
  • MDL No. MFCD08457576
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₉Cl₂N₃
  • Molecular Weight 194.06
  • Synonym(s) 6,7-Dihydro-5H-Pyrrolo[3,4-D]Pyrimidinedi Hydrochloride
  • SMILES [H]Cl.[H]Cl.C12=NC=NC=C1CNC2

Description

6,7-Dihydro-5H-pyrrolo[3,4-d]pyrimidine dihydrochloride is a bench-stable heterocyclic scaffold featuring a fused pyrrole-pyrimidine core with enhanced solubility due to the protonated dihydrochloride form. This compound serves as a key intermediate in the synthesis of bioactive nucleoside analogs and kinase inhibitors, offering high reactivity at the C6 position for selective functionalization under mild conditions.

Application

6,7-Dihydro-5H-pyrrolo[3,4-d]pyrimidine dihydrochloride serves as a versatile heterocyclic building block for medicinal chemistry and synthetic organic applications. Its well-defined structure enables efficient incorporation into purine analogs and kinase inhibitor scaffolds. The dihydrochloride salt enhances solubility and stability, facilitating handling and purification in standard reaction workflows. Functions effectively in nucleophilic substitution and coupling reactions, offering predictable reactivity for downstream derivatization.

Safety Information

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GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   37.81
  • LogP   0.9234
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   0

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