Lot numbers can be found on the outside label of a product:
4,6-Dichloro-2-methylpyrimidin-5-amine
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CAS No. 39906-04-2
- Cat. No. CS-W017349
- Purity≥98%
- MDL No.MFCD00194053
*For research and further manufacturing use only, not for direct human use.
Structure of 39906-04-2
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General Information
- CAS No. 39906-04-2
- Cat. No. CS-W017349
- Purity ≥98%
- MDL No. MFCD00194053
- Storage -20°C, sealed storage, away from moisture and light
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₅H₅Cl₂N₃
- Molecular Weight 178.02
- Synonym(s) 5-Amino-4,6-dichloro-2-methylpyrimidine
- SMILES NC1=C(Cl)N=C(C)N=C1Cl
Description
4,6-Dichloro-2-methylpyrimidin-5-amine serves as a key heterocyclic building block in medicinal chemistry. This electron-deficient pyrimidine derivative features two chlorine substituents at C4 and C6, enhancing reactivity in nucleophilic substitution processes. The methyl group at C2 imparts steric and electronic modulation, while the primary amine at C5 enables facile coupling reactions. This compound exhibits bench-stable handling characteristics and integrates efficiently into complex molecular architectures under standard conditions.
Application
4,6-Dichloro-2-methylpyrimidin-5-amine serves as a versatile building block in medicinal chemistry, enabling efficient construction of heterocyclic scaffolds through nucleophilic substitution. The dichloro substituents at C4 and C6 provide orthogonal reactivity for sequential functionalization, while the 5-amino group facilitates coupling reactions. Its bench-stable nature and compatibility with common reaction conditions make it ideal for modular synthesis workflows in API development.
Synthesis
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Route1
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98797-08-1 - ~26%
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In-stock
39906-04-2
References
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ENANTIA, S.L.; PASTÓ AGUILÀ, Mireia; COMELY, Alexander Christian Patent: WO2014/23681 A1, 2014 ; Location in patent: Page/Page column 35 ;
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Route2
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In-stock
13162-43-1 - ~82%
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In-stock
39906-04-2
References
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Nemeryuk, M. P.; Sedov, A. L.; Krepelka, I.; Benes, Ya.; Safonova, T. S. Chemistry of Heterocyclic Compounds (New York, NY, United States), 1983 , p. 1113 - 1115 Khimiya Geterotsiklicheskikh Soedinenii, 1983 , vol. 19, # 10 p. 1398 - 1400
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Route3
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In-stock
13162-43-1
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7439-89-6 - ~%
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In-stock
39906-04-2
References
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DuPont Pharmaceuticals Company Patent: US6245769 B1, 2001 ; US 6245769 B1
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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 51.8
- LogP 1.67402
- H_Acceptors 3
- H_Donors 1
- Rotatable_Bonds 0
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Key Words
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