4,6-Diamino-2-pyrimidinol

Basic Information

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CAS Number

31458-45-4

Molecular Formula

C4H6N4O

Molecular Weight

126.12 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

SMILES

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C1=C(NC(=O)N=C1N)N

InChI

InChI=1S/C4H6N4O/c5-2-1-3(6)8-4(9)7-2/h1H,(H5,5,6,7,8,9)

InChIKey

OKSVBJJXPDBPKN-UHFFFAOYSA-N

LogP

-0.6534000000000001

Topological Polar Surface Area

98.05000000000001 Å²

Hydrogen Bond Donor/Acceptor

5 / 5

Complexity

205

Synonyms & References

English

DTXSID80289371
SB55820
4,6-Diamino-2-hydroxypyrimidine
4,6-diaminopyrimidin-2-ol
AC-9003
2(1H)-Pyrimidinone, 4,6-diamino-
diamino pyrimidinone
6-aminocytosine
4,6-Diamino-2-oxopyrimidine
2(1H)-Pyrimidinone,6-diamino-
2-Pyrimidinol, 4,6-diamino-
AKOS003677339
31458-45-4
AMY25280
4,6-diamino-1H-pyrimidin-2-one
AB-323/25048090
4,6-Diamino-2-pyrimidinol
SCHEMBL309011
4,6-diaminopyrimidin-2(1H)-one
NSC-60531
GS-6262
AKOS015892441
2-Pyrimidinol,6-diamino-
NSC60531
H10201
4D5GB4JX52
diaminohydroxypyrimidine
4,6-Diamino-1H-pyrimidin-2-one
C4H6N4O
2-Pyrimidinol,6-diamino
4,6-Diamino-1H-pyrimidin-2-on

MDL Number

MFCD00127860

Customs Code

2933599090

FAQ

What is 4,6-Diamino-2-pyrimidinol (CAS: 31458-45-4)?

4,6-Diamino-2-pyrimidinol is a chemical compound with the CAS number 31458-45-4. It has a molecular formula of C4H8N4 and is a white or off-white powder. The compound is characterized by its amine groups and pyrimidine ring structure.

What are the main uses of 4,6-Diamino-2-pyrimidinol (CAS: 31458-45-4)?

4,6-Diamino-2-pyrimidinol is primarily used in the pharmaceutical industry as an intermediate for the synthesis of various drugs. It also finds applications in the production of dyes and in research for its potential use in medicinal chemistry and material science.

Is 4,6-Diamino-2-pyrimidinol (CAS: 31458-45-4) safe?

4,6-Diamino-2-pyrimidinol can be considered safe if handled properly. It is important to follow safety guidelines, wear appropriate protective equipment such as gloves and goggles, and avoid inhalation or contact with skin. Storage and disposal should be in accordance with local regulations.

How should 4,6-Diamino-2-pyrimidinol (CAS: 31458-45-4) be stored?

4,6-Diamino-2-pyrimidinol should be stored in a cool, dry place away from direct sunlight and heat sources. It should be kept in a tightly sealed container to prevent moisture absorption. Storage should be in a well-ventilated area to minimize the risk of inhalation. Disposal should follow local chemical waste regulations.