2,6-Diamino-4-(pyrrolidin-1-yl)pyrimidine 1-oxide

Basic Information

View in Editor

CAS Number

55921-65-8

Molecular Formula

C8H13N5O

Molecular Weight

195.22 g/mol

Chemical Classification

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

Basic Physical Properties

Melting Point

278 ºC (dec.)

Density

1.60

SMILES

View in Editor

C1CCN(C1)C2=NC(=N)N(C(=C2)N)O

InChI

InChI=1S/C8H13N5O/c9-6-5-7(11-8(10)13(6)14)12-3-1-2-4-12/h5,10,14H,1-4,9H2

InChIKey

JOITXEDSRYVTLJ-UHFFFAOYSA-N

Complexity

316

Synonyms & References

English

2,6-Diamino-4-(1-pyrrolidinyl)pyrimidine 1-Oxide
2,6-diamino-4-(pyrrolidin-1-yl)pyrimidine1-oxide
6-(1-Pyrrolidinyl)-2,4-pyrimidinediamine 3-oxide
Q4363471
N11402
DTXSID701021789
BS-53285
PYRROLIDINYL DIAMINOPYRIMIDINE OXIDE [INCI]
UNII-23GGI87A7F
2,6-diamino-4-(pyrrolidin-1-yl)pyrimidine 1-oxide
2,4-Pyrimidinediamine, 6-(1-pyrrolidinyl)-, 3-oxide
55921-65-8
3-hydroxy-2-imino-6-pyrrolidin-1-ylpyrimidin-4-amine
SY260426
SCHEMBL5309809
MFCD22041981
3-Oxy-6-pyrrolidin-1-yl-pyrimidine-2,4-diamine
PYRROLIDINYL DIAMINOPYRIMIDINE OXIDE
23GGI87A7F
Triaminodil
2,4-Pyrimidinediamine,6-(1-pyrrolidinyl)-, 3-oxide
3-oxy-6-pyrrolidin-1-yl-pyrimidine-2,4-diamine
PYRROLIDINE DIAMINO PYRIMIDINE
6-(Pyrrolidin-1-yl)pyrimidine-2,4-diamine 3-oxide
6-pyrrolidino-2,4-diaminopyrimidine 3-oxide
2,4-Diamino-6-pyrrolidinopyrimidine 3-oxide
FCH3729742

MDL Number

MFCD22041981

FAQ

What are the physical and chemical properties of 2,6-Diamino-4-(pyrrolidin-1-yl)pyrimidine 1-oxide (CAS: 55921-65-8)?

2,6-Diamino-4-(pyrrolidin-1-yl)pyrimidine 1-oxide (CAS: 55921-65-8) is a crystalline solid with a molecular weight of approximately 285.34 g/mol. It has a moderate solubility in water and is poorly soluble in common organic solvents. The compound is moderately reactive towards acid, and it exhibits good thermal stability up to 150°C. It is insoluble in most common organic solvents and has a pKa of about 8.5.

How is 2,6-Diamino-4-(pyrrolidin-1-yl)pyrimidine 1-oxide (CAS: 55921-65-8) typically synthesized?

2,6-Diamino-4-(pyrrolidin-1-yl)pyrimidine 1-oxide is typically synthesized from 2,6-diaminopyrimidine and pyrrolidine using a condensation reaction. The process involves the use of a suitable base like sodium hydride or lithium diisopropylamide (LDA) as a catalyst. The reaction is carried out in an aprotic solvent such as dimethylformamide (DMF) or N,N-dimethylacetamide (DMAc). The yield is generally around 70-80%, and the product can be purified by recrystallization from water or ethanol.

What industries use 2,6-Diamino-4-(pyrrolidin-1-yl)pyrimidine 1-oxide (CAS: 55921-65-8)?

2,6-Diamino-4-(pyrrolidin-1-yl)pyrimidine 1-oxide (CAS: 55921-65-8) is primarily used in the pharmaceutical industry as an intermediate for the synthesis of various drugs. It also finds applications in the polymer industry for the development of new materials. Additionally, due to its functional groups, it can be used in semiconductors and sensors for its catalytic and electronic properties.

What precautions should be taken when handling 2,6-Diamino-4-(pyrrolidin-1-yl)pyrimidine 1-oxide (CAS: 55921-65-8)?

When handling 2,6-Diamino-4-(pyrrolidin-1-yl)pyrimidine 1-oxide (CAS: 55921-65-8), it is essential to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. The compound should be handled in a fume hood to minimize exposure to air. Spills should be cleaned up immediately using appropriate absorbent materials, and the area should be well-ventilated. Safety data sheets (SDS) should always be consulted for detailed handling and disposal information. Storage should be in a dry, cool place, away from heat sources and oxidizing agents.