2-Amino-6-ethyl-4(1H)-pyrimidinone

Basic Information

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CAS Number

5734-66-7

Molecular Formula

C6H9N3O

Molecular Weight

139.16 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Boiling Point

265 ºC

Flash Point

114 ºC

SMILES

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CCC1=CC(=O)NC(=N1)N

InChI

InChI=1S/C6H9N3O/c1-2-4-3-5(10)9-6(7)8-4/h3H,2H2,1H3,(H3,7,8,9,10)

InChIKey

QDSSWFSXBZSFQO-UHFFFAOYSA-N

LogP

0.3267999999999999

Topological Polar Surface Area

72.03 Å²

Hydrogen Bond Donor/Acceptor

3 / 4

Complexity

217

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

AKOS005171430
2-amino-6-ethylpyrimidin-4-ol
2-amino-4-ethyl-1H-pyrimidin-6-one
2-amino-6-ethylpyrimidin-4(3H)-one
2-Amino-6-ethyl-4-hydroxypyrimidine
AC-22856
DTXSID30466034
Z1945984200
SY083340
4(1H)-Pyrimidinone, 2-amino-6-ethyl- (9CI)
FT-0679061
AKOS028109916
4(1H)-Pyrimidinone, 2-amino-6-ethyl-
F10942
2-amino-6-ethyl-1H-pyrimidin-4-one
CS-0152519
MFCD10698994
2-amino-6-ethyl-4(3H)-Pyrimidinone,
A8174
AKOS005723582
2-Amino-4-ethyl-6-hydroxypyrimidine
EN300-105041
AMY25261
SB57226
SCHEMBL2403638
2-AMINO-6-ETHYL-3,4-DIHYDROPYRIMIDIN-4-ONE
F8887-5679
AMYLCINNAMATE
5734-66-7
PS-4826
2-Amino-6-ethylpyrimidin-4-ol

MDL Number

MFCD10698994

Customs Code

2933599090

FAQ

What are the physical and chemical properties of 2-Amino-6-ethyl-4(1H)-pyrimidinone (CAS: 5734-66-7)?

2-Amino-6-ethyl-4(1H)-pyrimidinone (CAS: 5734-66-7) is a colorless crystalline solid with a molecular weight of approximately 151.19 g/mol. It has a low solubility in water (0.2 g/L at 25°C) and a higher solubility in organic solvents like dimethyl sulfoxide (DMSO). This compound is known for its mild reactivity, particularly in nucleophilic substitution reactions. It is stable under normal laboratory conditions but should be stored in a cool, dry place away from heat sources and oxidizing agents.

How is 2-Amino-6-ethyl-4(1H)-pyrimidinone (CAS: 5734-66-7) typically synthesized?

2-Amino-6-ethyl-4(1H)-pyrimidinone (CAS: 5734-66-7) can be synthesized through the reaction of ethyl isocyanate with urea. The synthesis involves the addition of ethyl isocyanate to urea in the presence of a base such as sodium hydroxide, followed by heating. This method provides good yields and selectivity, and the reaction is typically carried out at room temperature under air atmosphere. Catalytic amounts of amines or phosphoric acid can enhance the yield and purity of the final product.

What industries use 2-Amino-6-ethyl-4(1H)-pyrimidinone (CAS: 5734-66-7)?

2-Amino-6-ethyl-4(1H)-pyrimidinone (CAS: 5734-66-7) finds applications in various industries. In pharmaceuticals, it is used as an intermediate for the synthesis of antiviral and antifungal drugs. It is also utilized in the development of sensors for detecting specific analytes in environmental and biomedical applications. Additionally, it has potential uses in polymer chemistry for the synthesis of functional polymers and in semiconductor technology for the production of certain organic semiconductors.

What precautions should be taken when handling 2-Amino-6-ethyl-4(1H)-pyrimidinone (CAS: 5734-66-7)?

When handling 2-Amino-6-ethyl-4(1H)-pyrimidinone (CAS: 5734-66-7), it is essential to use personal protective equipment (PPE) such as gloves, safety goggles, and a lab coat. This compound should be stored in a cool, dry place away from heat sources and oxidizing agents. In the event of a spill, it is recommended to use appropriate spill kits and follow proper disposal procedures. Always refer to the Safety Data Sheet (SDS) for detailed information on handling, storage, and emergency procedures. This compound is not considered highly toxic, but it should be treated with caution due to its potential for skin irritation and inhalation hazards.