2,5-Diamino-6-hydroxy-4(1H)-pyrimidinone

Basic Information

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CAS Number

40769-69-5

Molecular Formula

C4H6N4O2

Molecular Weight

142.12 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

Water Treatment Chemicals Coagulants and Flocculants Inorganic Coagulants

Basic Physical Properties

Physical State

Solid

Melting Point

260 C

Boiling Point

524.2°C at 760 mmHg

SMILES

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C1(=C(N=C(NC1=O)N)O)N

InChI

InChI=1S/C4H6N4O2/c5-1-2(9)7-4(6)8-3(1)10/h5H2,(H4,6,7,8,9,10)

InChIKey

HWSJQFCTYLBBOF-UHFFFAOYSA-N

LogP

-0.9478000000000004

Topological Polar Surface Area

118.28 Å²

Hydrogen Bond Donor/Acceptor

6 / 6

Complexity

242

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

2,5-Diamino-pyrimidine-4,6-diol
EN300-7350888
4(3H)-Pyrimidinone, 2,5-diamino-6-hydroxy-
2,5-diamino-4-hydroxy-1H-pyrimidin-6-one
2,5-Diamino-4,6-dihydroxy-pyrimidin
40769-69-5
FT-0639665
2,5-Diamino-4,6-dihydropyrimidine hemisulfate salt
AC-9259
AM986
DTXSID40967143
Q27093125
A6804
2,5-diaminopyrimidine-4,6-diol
CHEMBL175083
1il5
2,5-diamino-6-hydroxy-3H-pyrimidin-4-one
AKOS000280642
527-57-1
PD008200
2,4-DIAMINO-4,6-DIHYDROXYPYRIMIDINE
diaminopyrimidine-4,6-diol
5-Amino-2-imino-1,2-dihydropyrimidine-4,6-diol
AKOS006223227
DB02037
2,5-Diaminopyrimidin-4,6-diol
HWSJQFCTYLBBOF-UHFFFAOYSA-N
2,5-diamino-6-hydroxy-4(3H)-pyrimidinone
J-507282
SCHEMBL147549
4,6-Dioxy-2,5-Diaminopyrimidin

MDL Number

MFCD02094729

Customs Code

2933599090

FAQ

What regulatory guidelines apply to 2,5-Diamino-6-hydroxy-4(1H)-pyrimidinone (CAS: 40769-69-5)?

2,5-Diamino-6-hydroxy-4(1H)-pyrimidinone (CAS: 40769-69-5) is regulated under the Globally Harmonized System of Classification and Labelling of Chemicals (GHS) as a hazardous substance. In the European Union, it falls under the REACH regulations, which require companies to register substances with the European Chemicals Agency. Additionally, the FDA and EPA have specific requirements for handling and reporting of this compound in the United States.

Are there alternatives to 2,5-Diamino-6-hydroxy-4(1H)-pyrimidinone (CAS: 40769-69-5) in synthesis?

While 2,5-Diamino-6-hydroxy-4(1H)-pyrimidinone is a specific compound, alternatives such as other pyrimidinones or analogs like 2,4-diamino-6-hydroxy-pyrimidine can be used in synthesis. Common alternative reagents include amino acids or other nucleoside precursors, which can serve similar functional roles in various chemical reactions.

What is the market or research trend for 2,5-Diamino-6-hydroxy-4(1H)-pyrimidinone (CAS: 40769-69-5)?

The market for 2,5-Diamino-6-hydroxy-4(1H)-pyrimidinone (CAS: 40769-69-5) is growing due to its applications in pharmaceuticals and organic synthesis. Research trends focus on its use as a precursor in nucleoside and nucleotide synthesis, as well as its potential in antiviral and anticancer therapeutics. The increasing demand in the pharmaceutical industry drives continuous exploration and development of this compound.

How should waste containing 2,5-Diamino-6-hydroxy-4(1H)-pyrimidinone (CAS: 40769-69-5) be handled?

Waste containing 2,5-Diamino-6-hydroxy-4(1H)-pyrimidinone (CAS: 40769-69-5) should be collected in appropriate containers and stored separately from other materials. Incineration is a common method for disposing of this waste, but professional waste disposal services are recommended to ensure compliance with environmental regulations. Proper labeling and documentation are essential to avoid any environmental hazards.