Lot numbers can be found on the outside label of a product:
2-amino-6-chloropyrimidin-4(1H)-one
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CAS No. 1194-21-4
- Cat. No. CS-W000832
- Purity≥96%
- MDL No.MFCD12028107
*For research and further manufacturing use only, not for direct human use.
Structure of 1194-21-4
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General Information
- CAS No. 1194-21-4
- Cat. No. CS-W000832
- Purity ≥96%
- MDL No. MFCD12028107
- Storage 4°C, protect from light
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₄H₄ClN₃O
- Molecular Weight 145.55
- Synonym(s) 2-Amino-6-chloro-4-pyrimidinol monohydrate
- SMILES Nc1nc(=O)cc(Cl)[nH]1
Description
2-Amino-6-chloropyrimidin-4(3H)-one features a fused heterocyclic core with amino and chloro substituents enabling versatile functionalization. This bench-stable compound integrates readily into pharmaceutical scaffolds, offering enhanced solubility and metabolic stability in bioactive molecule design.
Application
2-Amino-6-chloropyrimidin-4(3H)-one serves as a versatile building block in medicinal chemistry, enabling efficient construction of pyrimidine-based scaffolds. Its amino and chloro substituents facilitate nucleophilic substitution and transition-metal-catalyzed coupling reactions, while the enolizable carbonyl supports condensation and cyclization processes. The compound exhibits good bench stability and compatibility with standard purification methods, making it well-suited for iterative synthesis campaigns targeting kinase inhibitors and antiviral agents.
Synthesis
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Route1
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56-05-3 - ~97%
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In-stock
1194-21-4
References
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Burgdorf, Lars T; Carell, Thomas Chemistry (Weinheim an der Bergstrasse, Germany), 2002 , vol. 8, # 1 p. 293 - 301
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Route2
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In-stock
1193-21-1 - ~99%
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In-stock
1194-21-4
References
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Hoffmann-La Roche Inc. Patent: US4939252 A1, 1990 ;
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Route3
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In-stock
56-09-7 - ~40%
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In-stock
1194-21-4
References
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Aoyagi; Yanada; Bessho; Yoneda; Armarego Journal of Heterocyclic Chemistry, 1991 , vol. 28, # 6 p. 1537 - 1539
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Safety Information
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GHS Pictogram :
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GHS No : GHS07
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Signal Word : Warning
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UN#: N/A
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Class : N/A
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Packing Group : N/A
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Hazard Statements : H302-H315-H319-H335
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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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Quality Control
Computational Chemistry Data
- TPSA 71.77
- LogP 0.0055
- H_Acceptors 3
- H_Donors 2
- Rotatable_Bonds 0
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Key Words
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