2-Chloro-5H-pyrrolo[2,3-d]pyrimidin-6(7H)-one

CAS No. 335654-08-5
Cat. No. CS-0045909
Purity≥96%
MDL No.MFCD07787393

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2-Chloro-5H-pyrrolo[2,3-d]pyrimidin-6(7H)-one|CS-0045909

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Description

2-Chloro-5H-pyrrolo[2,3-d]pyrimidin-6(7H)-one features a fused heterocyclic core with a chlorinated pyrimidinone scaffold, enabling direct incorporation into kinase inhibitor scaffolds. The electron-deficient ring system supports efficient coupling reactions, while the bench-stable nature facilitates handling under standard conditions.

Application

2-Chloro-5H-pyrrolo[2,3-d]pyrimidin-6(7H)-one serves as a versatile building block in heterocyclic synthesis, enabling efficient access to purine and pyrrolopyrimidine scaffolds. Its chloro substituent facilitates nucleophilic substitution reactions, while the lactam functionality provides hydrogen-bonding capability and enhanced solubility. The compound exhibits excellent bench stability and compatibility with standard coupling protocols, making it ideal for medicinal chemistry campaigns and API development.

General Information

CAS No. 335654-08-5
Cat. No. CS-0045909
Purity ≥96%
MDL No. MFCD07787393
Storage -20°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₆H₄ClN₃O
Molecular Weight None
Synonym(s) 2-Chloro-5H-pyrrolo[2,3-d]pyrimidin-6(7H)
SMILES ClC1=NC2=C(CC(=O)N2)C=N1

Computational Chemistry Data

TPSA 54.88
LogP 0.6246
H_Acceptors 3
H_Donors 1
Rotatable_Bonds 0

Safety Information

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Hazard Statements : N/A
Precautionary Statements : N/A

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Other Classifications

Building Blocks Skeleton Aromatic heterocycle compounds Pyrimidine compounds

Building Blocks Skeleton Aliphatic heterocycle compounds Pyrrolidine compounds

Key Words

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2-Chloro-5H-pyrrolo[2,3-d]pyrimidin-6(7H)-one

CAS No. 335654-08-5

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