6-Chloro-3-methyl-1H-pyrazolo[3,4-d]pyrimidine

Name: 6-Chloro-3-methyl-1H-pyrazolo[3,4-d]pyrimidine
Brand: ChemScene
Availability: InStock
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CAS No. 871254-63-6
Cat. No. CS-0059044
Purity≥97%
MDL No.None

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
Inaccessible (Haz class 6.1 or 9), Domestic	$68.00+
Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
Inaccessible (Haz class 6.1 or 9), International	$108.00+
Accessible (Haz class 3, 4, 5 or 8), International	$238.00+

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6-Chloro-3-methyl-1H-pyrazolo[3,4-d]pyrimidine|CS-0059044

Structure of 871254-63-6

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General Information

CAS No. 871254-63-6
Cat. No. CS-0059044
Purity ≥97%
MDL No. None
Storage 4°C, stored under nitrogen
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₆H₅ClN₄
Molecular Weight 168.58
Synonym(s) 6-chloro-3-phenyl-1H-pyrazolo[3,4-d]pyrimidine
SMILES ClC1=NC=C2C(NN=C2C)=N1

Description

6-Chloro-3-methyl-1H-pyrazolo[3,4-d]pyrimidine serves as a key heterocyclic scaffold in medicinal chemistry, offering a rigid, electron-deficient core for targeted molecular design. This bench-stable compound integrates readily into kinase inhibitor frameworks and other bioactive architectures, enabling efficient access to functionalized purine analogs under standard conditions.

Application

6-Chloro-3-methyl-1H-pyrazolo[3,4-d]pyrimidine serves as a versatile building block for the synthesis of bioactive heterocycles, enabling efficient construction of pyrazolo[3,4-d]pyrimidine scaffolds. The chloro group facilitates nucleophilic substitution reactions, while the methyl substituent enhances stability and modulates reactivity. Its bench-stable nature and compatibility with standard coupling protocols make it well-suited for medicinal chemistry campaigns and process-scale applications.

Safety Information

Download SDS

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 54.46
LogP 1.31472
H_Acceptors 3
H_Donors 1
Rotatable_Bonds 0

Other Classifications

Building Blocks Skeleton Aromatic heterocycle compounds Pyrazole compounds

Building Blocks Skeleton Aromatic heterocycle compounds Pyrimidine compounds

Key Words

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6-Chloro-3-methyl-1H-pyrazolo[3,4-d]pyrimidine

CAS No. 871254-63-6

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