Lot numbers can be found on the outside label of a product:
5-Bromo-6-methylpyrimidine-2,4-diol
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CAS No. 15018-56-1
- Cat. No. CS-0018945
- Purity≥95%
- MDL No.MFCD12964069
*For research and further manufacturing use only, not for direct human use.
Structure of 15018-56-1
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General Information
- CAS No. 15018-56-1
- Cat. No. CS-0018945
- Purity ≥95%
- MDL No. MFCD12964069
- Storage 4°C
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₅H₅BrN₂O₂
- Molecular Weight 205.01
- Synonym(s) 5-Bromo-6-methyl-2,4(1H,3H)-pyrimidinedione; 5-Bromo-6-methyluracil; NSC 53064; 5-Bromo-6-methylpyrimidine-2,4(1H,3H)-dione
- SMILES O=C1NC(C(Br)=C(C)N1)=O
Description
5-Bromo-6-methylpyrimidine-2,4-diol features a bromine substituent at the 5-position and a methyl group at the 6-position, both strategically positioned to modulate electronic properties and reactivity. This bench-stable heterocycle integrates readily into synthetic sequences requiring electron-deficient pyrimidine scaffolds, enabling efficient access to functionalized analogs through nucleophilic substitution or coupling reactions.
Application
5-Bromo-6-methylpyrimidine-2,4-diol serves as a versatile building block in medicinal chemistry, enabling efficient construction of pyrimidine-based scaffolds. Its bromine and diol functionalities support diverse cross-coupling reactions and derivatization pathways, while the methyl group enhances metabolic stability. The compound exhibits good bench stability and facilitates straightforward purification, making it well-suited for iterative synthesis campaigns in drug discovery.
Synthesis
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Route1
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In-stock
626-48-2 - ~95%
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In-stock
15018-56-1
References
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Cheng, Dong Ping; Chen, Zhen Chu; Zheng, Qin Guo Journal of Chemical Research - Part S, 2002 , # 12 p. 624 - 625
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Route2
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In-stock
1461-67-2 - ~95%
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In-stock
15018-56-1
References
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Kasradze; Ignatyeva; Khusnutdinov; Suponitskii, K. Yu.; Antipin, M. Yu.; Yunusov Chemistry of Heterocyclic Compounds, 2012 , vol. 48, # 7 p. 1018 - 1027 Khim. Geterotsikl. Soedin., 2012 , vol. 48, # 7 p. 1095 - 1106,12
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Route3
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In-stock
1461-67-2
- ~64%
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In-stock
15018-56-1
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62459-19-2
References
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Chemistry of Heterocyclic Compounds, , vol. 48, # 7 p. 1018 - 1027 Khim. Geterotsikl. Soedin., , vol. 48, # 7 p. 1095 - 1106,12
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Safety Information
Download SDS|
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 65.72
- LogP 0.13412
- H_Acceptors 2
- H_Donors 2
- Rotatable_Bonds 0
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Key Words
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