1,3-Dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione

Basic Information

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CAS Number

769-42-6

Molecular Formula

C6H8N2O3

Molecular Weight

156.14 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

Basic Physical Properties

Melting Point

122.0 to 125.0 deg-C

Boiling Point

228.1 °C at 760 mmHg

Density

1.3220

Water Solubility

Soluble in water.

Flash Point

95.3℃

Solubility

hot water: soluble0.5g/10 mL, clear, colorless to faintly yellow

Refractive Index

1.511

SMILES

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CN1C(=O)CC(=O)N(C1=O)C

InChI

InChI=1S/C6H8N2O3/c1-7-4(9)3-5(10)8(2)6(7)11/h3H2,1-2H3

InChIKey

VVSASNKOFCZVES-UHFFFAOYSA-N

LogP

-0.5730999999999999

Topological Polar Surface Area

57.690000000000005 Å²

Hydrogen Bond Donor/Acceptor

0 / 5

Complexity

214

Safety Information

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GHS Hazard Pictograms

H302

H318

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H318 Causes serious eye damage
Serious eye damage/eye irritation

Synonyms & References

English

F0777-1614
SMR001337373
Barbituric acid, 1,3-dimethyl-
1,3-dimethyl-pyrimidine-2,4,6-trione
DS-14418
AE-848/30739017
N,N'-Dimethylbarbituric acid
1,3-Dimethylbarbituricacid
1, 3-Dimethylbarbituric acid
AKOS000119753
CS-W018012
AC7893
NSC61918
1,3-Dimethyl-2,4,6(1H,3H,5H)pyrimidinetrione
VVSASNKOFCZVES-UHFFFAOYSA-
W-104334
1, 3-dimethyl barbituric acid
D1618
MLS004491692
DTXSID0061115
1,3-Dimethyl barbituric acid
1,3-dimethyl-1,3-diazinane-2,4,6-trione
UPCMLD0ENAT5883851:001
EINECS 212-211-7
1,3-Dimethylbarbituric acid
2,4,6(1H,3H,5H)-Pyrimidinetrione, 1,3-dimethyl-
SCHEMBL145601
A838911
2,6(1H,3H,5H)-Pyrimidinetrione, 1,3-dimethyl-
1,3-Dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione #
1,3-dimethyl-2,4,6-pyrimidinetrione

MDL Number

MFCD00006675

Customs Code

2933540000

FAQ

What is 1,3-Dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione (CAS: 769-42-6)?

1,3-Dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione (CAS: 769-42-6) is a synthetic organic compound with the chemical formula C6H6N2O3. It is a white crystalline solid known for its stability in dry conditions and its role as a nucleotide analog. This compound is commonly used in chemical research and pharmaceutical applications due to its structural similarity to pyrimidine derivatives.

What are the main uses of 1,3-Dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione (CAS: 769-42-6)?

1,3-Dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione (CAS: 769-42-6) is primarily used in pharmaceutical research as a precursor for nucleoside and nucleotide analogs. It also serves as an industrial chemical intermediate and is applied in the synthesis of other pyrimidine-based compounds. Its applications span drug development, biochemistry studies, and organic synthesis processes.

Is 1,3-Dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione (CAS: 769-42-6) safe?

1,3-Dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione (CAS: 769-42-6) is generally considered safe when handled properly. However, it requires standard lab precautions to avoid skin and eye contact. Safety data indicates no significant acute toxicity, but prolonged exposure should be minimized. Always follow OSHA guidelines and use appropriate PPE for safe handling.

How should 1,3-Dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione (CAS: 769-42-6) be stored?

1,3-Dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione (CAS: 769-42-6) should be stored in a sealed, dry container at room temperature (15-25°C). It is stable under normal conditions but sensitive to moisture and light. Avoid exposure to humid environments and store in a cool, dark place to maintain its chemical integrity and prolong shelf life.