6-Amino-1,3-diethyl-5-nitrosopyrimidine-2,4(1H,3H)-dione

Basic Information

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CAS Number

89073-60-9

Molecular Formula

C8H12N4O3

Molecular Weight

212.21 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

Melting Point

217-218°C

SMILES

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CCN1C(=C(C(=O)N(C1=O)CC)N=O)N

InChI

InChI=1S/C8H12N4O3/c1-3-11-6(9)5(10-15)7(13)12(4-2)8(11)14/h3-4,9H2,1-2H3

InChIKey

GAZDRRFBKXZFCM-UHFFFAOYSA-N

LogP

0.029899999999999816

Topological Polar Surface Area

99.44999999999999 Å²

Hydrogen Bond Donor/Acceptor

2 / 7

Complexity

350

Safety Information

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Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

6-Amino-1,3-diethyl-5-nitrosopyrimidine-2,4(1H,3H)-dione
1,3-Diethyl-5-nitroso-6-aminouracil
1,3-Diethyl-6-amino-5-nitrosouracil
2,4(1H,3H)-Pyrimidinedione,6-amino-1,3-diethyl-5-nitroso-
6-Amino-1,3-diethyl-5-nitroso-2,4(1H,3H)-pyrimidinedione
6-amino-1,3-diethyl-5-nitrosopyrimidine-2,4-dione
6-amino-1,3-diethyl-5-nitroso-1,2,3,4-tetrahydropyrimidine-2,4-dione
6-Amino-1,3-diethyl-5-nitroso-2,4(1H,3H)-pyrimidinedione (ACI)
NSC 677517
Uracil, 6-amino-1,3-diethyl-5-nitroso-
DB-057114
W-204013
SCHEMBL3397649
2,4(1H,3H)-Pyrimidinedione, 6-amino-1,3-diethyl-5-nitroso-
1,3-Diethyldihydro-6-imino-2,4,5(3H)-pyrimidinetrione 5-oxime
AC-31745
NSC677517
6-Amino-1,3-diethyl-5-nitroso-2,4(1H,3H)-pyrimidinedione #
BCP17712
6D8YK3RP6Y
NSC-677517
MFCD00091956
GAZDRRFBKXZFCM-UHFFFAOYSA-N
89073-60-9
AKOS005071654
DTXSID90327697
AS-0056
2,4,5(3H)-Pyrimidinetrione, 1,3-diethyldihydro-6-imino-, 5-oxime
6-amino-1,3-diethyl-5-nitroso-pyrimidine-2,4-dione

MDL Number

MFCD00091956

Customs Code

2933599090

FAQ

What are the physical and chemical properties of 6-Amino-1,3-diethyl-5-nitrosopyrimidine-2,4(1H,3H)-dione (CAS: 89073-60-9)?

6-Amino-1,3-diethyl-5-nitrosopyrimidine-2,4(1H,3H)-dione has a crystalline form and a molecular weight of approximately 247.15 g/mol. It is slightly soluble in water but more soluble in organic solvents like ethanol and acetonitrile. The compound is moderately reactive, particularly towards nucleophiles and reducing agents. It is important to handle under an inert atmosphere and avoid contact with moisture and strong acids.

How is 6-Amino-1,3-diethyl-5-nitrosopyrimidine-2,4(1H,3H)-dione (CAS: 89073-60-9) typically synthesized?

6-Amino-1,3-diethyl-5-nitrosopyrimidine-2,4(1H,3H)-dione is typically synthesized through a multi-step process involving the nitration of a diethylpyrimidine derivative followed by the reduction of the nitro group to an amino group. Common catalysts include sulfuric acid and sodium nitrite. The reaction is carried out under an inert atmosphere to prevent side reactions and ensure high yield and selectivity.

What industries use 6-Amino-1,3-diethyl-5-nitrosopyrimidine-2,4(1H,3H)-dione (CAS: 89073-60-9)?

6-Amino-1,3-diethyl-5-nitrosopyrimidine-2,4(1H,3H)-dione is primarily used in the pharmaceutical industry for the synthesis of certain drugs. It is also utilized in the semiconductor industry for the production of electronic materials and in polymer applications for the development of smart materials and sensors. Its versatile chemical structure makes it valuable in various fields.

What precautions should be taken when handling 6-Amino-1,3-diethyl-5-nitrosopyrimidine-2,4(1H,3H)-dione (CAS: 89073-60-9)?

When handling 6-Amino-1,3-diethyl-5-nitrosopyrimidine-2,4(1H,3H)-dione, it is essential to use appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. This compound should be stored in a cool, dry place away from moisture and heat sources. Due to its reactivity, it should be handled in a well-ventilated area or under a fume hood. In case of a spill, it is advisable to use appropriate spill kits and follow the safety data sheet (SDS) guidelines for disposal.