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

Basic Information

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CAS Number

56830-58-1

Molecular Formula

C4H7ClN4O2

Molecular Weight

178.58 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

Agricultural Chemicals Pesticides Herbicides

Water Treatment Chemicals Coagulants and Flocculants Inorganic Coagulants

Basic Physical Properties

Melting Point

No data available

Boiling Point

524.2±60.0 °C at 760 mmHg

Flash Point

270.9±32.9 °C

SMILES

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

InChI

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

InChIKey

IIVYOQGIZSPVFZ-UHFFFAOYSA-N

LogP

-0.5260000000000002

Topological Polar Surface Area

118.28 Å²

Hydrogen Bond Donor/Acceptor

6 / 6

Complexity

242

Synonyms & References

English

AS-68025
2,5-diaminopyrimidine-4,6-diol hydrogen chloride
2,5-diamino-4-hydroxy-1H-pyrimidin-6-one;hydrochloride
IIVYOQGIZSPVFZ-UHFFFAOYSA-N
2,5-Diamino-4,6-dihydroxypyrimidine Hydrochloride
2,5-Diamino-6-hydroxy-4(1H)-pyrimidinone Hydrochloride
56830-58-1
AMY4031
2,5-Diamino-4,6-dihydroxypyrimidinehydrochloride
C4H7ClN4O2
4(3H)-Pyrimidinone, 2,5-diamino-6-hydroxy-, hydrochloride (1:1)
diaminodihydroxypyrimidine hydrochloride
D2634
W-203142
4(1H)-Pyrimidinone, 2,5-diamino-6-hydroxy-, monohydrochloride
EN300-7396280
diaminopyrimidine-4,6-diol hydrochloride
2,5-Diamino-4,6-dihydroxypyrimidine hydrochloride hydrate
2,5-Diaminopyrimidine-4,6-diol Hydrochloride
BCP13016
CS-0008326
2,5-Diamino-4,6-dihydroxy-pyrimidine
FT-0640415
A8124
MFCD00082893
2,5-Diamino-4,6-dihydroxypyrimidine HCl
2,5-Diamino-6-hydroxy-3H-pyrimidin-4-one hydrochloride
AKOS015892533
DTXSID70370065
AC-6126
9FMP2XU8KK

MDL Number

MFCD00082893

Customs Code

2933599090

FAQ

What are the physical and chemical properties of 2,5-Diamino-6-hydroxy-4(1H)-pyrimidinone hydrochloride (CAS: 56830-58-1)?

2,5-Diamino-6-hydroxy-4(1H)-pyrimidinone hydrochloride (CAS: 56830-58-1) is a white crystalline solid with a molecular weight of approximately 234.77 g/mol. It is moderately soluble in water and ethanol, with limited solubility in common organic solvents. This compound is known for its basic nature, with a pKa of about 12. It is stable under normal storage conditions but reacts with strong acids. It can form complexes with metal ions, making it useful in various chemical reactions.

How is 2,5-Diamino-6-hydroxy-4(1H)-pyrimidinone hydrochloride (CAS: 56830-58-1) typically synthesized?

2,5-Diamino-6-hydroxy-4(1H)-pyrimidinone hydrochloride is typically synthesized through the condensation of 6-hydroxypyrimidine-4(1H)-one with an amino compound, such as ethylene diamine, followed by hydrochloric acid treatment to form the hydrochloride salt. The reaction is carried out in a suitable solvent like methanol or ethanol, and typically requires careful control of pH to achieve high yield and selectivity.

What industries use 2,5-Diamino-6-hydroxy-4(1H)-pyrimidinone hydrochloride (CAS: 56830-58-1)?

2,5-Diamino-6-hydroxy-4(1H)-pyrimidinone hydrochloride (CAS: 56830-58-1) is used in various industries. It is a key intermediate in pharmaceuticals for the synthesis of certain drugs, as well as in polymer chemistry for the development of novel materials. Additionally, it finds applications in the production of sensors and semiconductors due to its unique chemical properties and reactivity.

What precautions should be taken when handling 2,5-Diamino-6-hydroxy-4(1H)-pyrimidinone hydrochloride (CAS: 56830-58-1)?

When handling 2,5-Diamino-6-hydroxy-4(1H)-pyrimidinone hydrochloride (CAS: 56830-58-1), it is crucial to wear appropriate personal protective equipment (PPE), including gloves, goggles, and laboratory coat. This compound should be handled in a well-ventilated area or a fume hood to prevent inhalation. Spills should be cleaned up immediately using appropriate absorbent materials, and the area should be thoroughly washed. Always consult the Safety Data Sheet (SDS) for detailed handling and disposal information.