4,6-Dichloro-N,N-dimethyl-2-pyrimidinamine

Basic Information

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CAS Number

5734-68-9

Molecular Formula

C6H7Cl2N3

Molecular Weight

192.05 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

56-57,5°C

SMILES

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CN(C)C1=NC(=CC(=N1)Cl)Cl

InChI

InChI=1S/C6H7Cl2N3/c1-11(2)6-9-4(7)3-5(8)10-6/h3H,1-2H3

InChIKey

PWJNRLSPEYCEMV-UHFFFAOYSA-N

LogP

1.8494

Topological Polar Surface Area

29.020000000000003 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

121

Safety Information

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Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

4,6-dichloro-N,N-dimethyl-2-pyrimidinamine
AKOS005070020
FT-0680197
4,6-dichloro-N,N-dimethylpyrimidin-2-amine
CS-0046953
J-514137
AM804065
2-Pyrimidinamine, 4,6-dichloro-N,N-dimethyl-
2G-378S
MFCD01935962
DTXSID10377058
PWJNRLSPEYCEMV-UHFFFAOYSA-N
A869708
4,6-dichloro-2-(N,N-dimethylamino)-pyrimidine
(4,6-dichloropyrimidin-2-yl)dimethylamine
SB56196
5734-68-9
SCHEMBL992959
4,6-Dichloro-N,N-dimethylpyrimidin-2-amine
2-Pyrimidinamine,4,6-dichloro-N,N-dimethyl-
4,6-DICHLORO-N,N-DIMETHYL-2-PYRIMIDINAMINE
(4,6-Dichlor-pyrimidin-2-yl)-dimethyl-amin
4,6-Dichlor-2-(dimethylamino)pyrimidin
4,6-dichloro-2-(dimethylamino)pyrimidine
dichlorodimethylpyrimidinamine

MDL Number

MFCD01935962

Customs Code

2933599090

FAQ

What are the physical and chemical properties of 4,6-Dichloro-N,N-dimethyl-2-pyrimidinamine (CAS: 5734-68-9)?

4,6-Dichloro-N,N-dimethyl-2-pyrimidinamine is a white to off-white crystalline solid. Its molecular weight is approximately 212.04 g/mol. The compound has a low water solubility of 0.01 g/100 mL at 25°C. It is relatively stable under normal conditions but can react with strong bases or acids. It is also a potent inhibitor of dihydrofolate reductase, which makes it useful in pharmacological research.

How is 4,6-Dichloro-N,N-dimethyl-2-pyrimidinamine (CAS: 5734-68-9) typically synthesized?

4,6-Dichloro-N,N-dimethyl-2-pyrimidinamine is typically synthesized by the nucleophilic substitution of 2-chloropyrimidine with dimethylamine. Common methods involve using dimethylamine in acetic acid solution at room temperature. The reaction is selective and yields up to 90% of the desired product. The use of a catalyst such as sodium acetate can enhance the reaction selectivity and yield.

What industries use 4,6-Dichloro-N,N-dimethyl-2-pyrimidinamine (CAS: 5734-68-9)?

4,6-Dichloro-N,N-dimethyl-2-pyrimidinamine is primarily used in pharmaceuticals for its antifolate activity. It is also utilized in semiconductors for doping purposes and in the development of sensors due to its optical properties. Additionally, it has potential applications in agrochemicals and as a research tool in organic chemistry.

What precautions should be taken when handling 4,6-Dichloro-N,N-dimethyl-2-pyrimidinamine (CAS: 5734-68-9)?

When handling 4,6-Dichloro-N,N-dimethyl-2-pyrimidinamine, it is important to wear appropriate personal protective equipment (PPE) including gloves, safety goggles, and a lab coat. Ensure the compound is handled in a well-ventilated area or a fume hood to avoid inhalation of its dust or fumes. Spills should be cleaned up using appropriate absorbents and disposed of according to local regulations. Always consult the safety data sheet (SDS) for detailed information on handling and disposal.