1,3-Dimethyl-2,4(1H,3H)-pyrimidinedione

Basic Information

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CAS Number

874-14-6

Molecular Formula

C6H8N2O2

Molecular Weight

140.14 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

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

122.0 to 128.0 deg-C

Boiling Point

208.4°C at 760 mmHg

Density

1.2850 (rough estimate)

Water Solubility

almost transparency

Flash Point

84.3℃

Refractive Index

1.5010 (estimate)

SMILES

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Cn1ccc(=O)n(C)c1=O

InChI

InChI=1S/C6H8N2O2/c1-7-4-3-5(9)8(2)6(7)10/h3-4H,1-2H3

InChIKey

JSDBKAHWADVXFU-UHFFFAOYSA-N

LogP

-0.9160000000000001

Topological Polar Surface Area

44.0 Å²

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

210

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

Synonyms & References

English

1,3-Dimethyluracil
Dimethyluracil
1,3-dimethyl-2,4-pyrimidinedione
2,4(1H,3H)-Pyrimidinedione, 1,3-dimethyl-
1,3-DIMETHYL-1H-PYRIMIDINE-2,4-DIONE
1,3-dimethylpyrimidine-2,4-dione
1,3-Dimethyl-2,4(1H,3H)-pyrimidinedione
2,4-Dihydroxy-1,3-dimethylpyrimidine
1,3-dimethyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
1,3-Dimethyl-2,4(1H,3H)-pyrimidinedione (ACI)
Uracil, 1,3-dimethyl- (7CI, 8CI)
1,3-Dimethyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
1,3-Dimethyl-1H,3H-pyrimidine-2,4-dione
1,3-Dimethyl-2,4-pyrimidinedione
N,N′-Dimethyluracil
N1,N3-Dimethyluracil
NSC 401858

MDL Number

MFCD00038065

Customs Code

2933599090

FAQ

What is 1,3-Dimethyl-2,4(1H,3H)-pyrimidinedione (CAS: 874-14-6)?

1,3-Dimethyl-2,4(1H,3H)-pyrimidinedione, also known as 2,4-pyrimidinedione, is a heterocyclic organic compound with the chemical formula C5H6N2O2. It is a white solid characterized by its stability and reactivity in chemical reactions. This compound serves as a key intermediate in the synthesis of various pharmaceuticals and organic molecules due to its versatile structural properties.

What are the main uses of 1,3-Dimethyl-2,4(1H,3H)-pyrimidinedione (CAS: 874-14-6)?

1,3-Dimethyl-2,4(1H,3H)-pyrimidinedione is widely used in pharmaceutical research for synthesizing antiviral and anticancer drugs. It also finds applications in industrial chemistry as a precursor for dyes and agrochemicals. In food science, it may be used as a flavor enhancer or stabilizer. Additionally, it is a valuable compound in organic synthesis and chemical research for developing new materials and compounds.

Is 1,3-Dimethyl-2,4(1H,3H)-pyrimidinedione (CAS: 874-14-6) safe?

1,3-Dimethyl-2,4(1H,3H)-pyrimidinedione is generally considered safe when handled properly, but it requires standard safety precautions. Limited toxicity data suggests it is less hazardous than many organic solvents, yet protective measures like gloves, goggles, and ventilation are recommended. Safety standards emphasize avoiding inhalation, skin contact, and ingestion. Always consult a safety data sheet (SDS) for detailed handling guidelines.

How should 1,3-Dimethyl-2,4(1H,3H)-pyrimidinedione (CAS: 874-14-6) be stored?

1,3-Dimethyl-2,4(1H,3H)-pyrimidinedione should be stored in a cool, dry place away from light and moisture. It is stable under standard conditions but should be kept in airtight, ventilated containers to prevent degradation. Avoid exposure to strong acids or bases, and ensure storage areas are well-ventilated to maintain safety and product integrity.