structure of 2-Chloro-5-Methoxypyrimidin-4-Amine

2-Chloro-5-Methoxypyrimidin-4-Amine

CAS No.: 99979-77-8
M. Wt: 159.574
M. Fa: C5H6ClN3O
InChI Key: ORUMXWAUZBTDLW-UHFFFAOYSA-N
Appearance: Off white solid

Names and Identifiers of 2-Chloro-5-Methoxypyrimidin-4-Amine

CAS Number

99979-77-8

EC Number

868-494-8

MDL Number

MFCD17169913

IUPAC Name

2-chloro-5-methoxypyrimidin-4-amine

InChI

InChI=1S/C5H6ClN3O/c1-10-3-2-8-5(6)9-4(3)7/h2H,1H3,(H2,7,8,9)

InChIKey

ORUMXWAUZBTDLW-UHFFFAOYSA-N

Canonical SMILES

COC1=CN=C(N=C1N)Cl

UNSPSC Code

12352100

Physical and chemical properties of 2-Chloro-5-Methoxypyrimidin-4-Amine

Acidity coefficient

2.39±0.10(Predicted)

Boiling Point

349.6±22.0 °C at 760 mmHg

Density

1.4±0.1 g/cm3

Exact Mass

159.019943

Flash Point

165.2±22.3 °C

Index of Refraction

1.585

LogP

1.14

Melting Point

181-182 °C (decomp)(Solv: ligroine (8032-32-4))

Molecular Formula

C5H6ClN3O

Molecular Weight

159.574

PSA

61.76000

Storage condition

2-8°C

Vapour Pressure

0.0±0.8 mmHg at 25°C

Safety Information of 2-Chloro-5-Methoxypyrimidin-4-Amine

Pictograms

Signal Word

 Warning

Safety Data Sheet
Supports customized editing of SDS information and downloading in PDF documents.

Applications of 2-Chloro-5-Methoxypyrimidin-4-Amine

This compound has several applications across various fields:

  • Pharmaceuticals: Used as an intermediate in the synthesis of drugs targeting cancer and other diseases.
  • Chemical Research: Acts as a building block for developing new compounds with desired biological activities.
  • Agriculture: Potentially useful in developing agrochemicals due to its biological activity against pests.

Interaction Studies of 2-Chloro-5-Methoxypyrimidin-4-Amine

Research indicates that 2-Chloro-5-Methoxypyrimidin-4-Amine interacts with various biological molecules, which may include:

  • Enzymes: It may act as an inhibitor for specific enzymes involved in metabolic pathways.
  • Receptors: Potential interactions with receptor sites could modulate biological responses, making it a candidate for drug development.

Biological Activity of 2-Chloro-5-Methoxypyrimidin-4-Amine

2-Chloro-5-Methoxypyrimidin-4-Amine exhibits notable biological activity. It has been studied for its potential as an antitumor agent and may also have applications in treating other diseases due to its structural properties that allow interaction with biological targets. Its activity profile suggests it may inhibit certain enzymes or receptors involved in disease processes.

Physical sample testing spectrum (NMR) of 2-Chloro-5-Methoxypyrimidin-4-Amine

Physical sample testing spectrum (NMR) of 2-Chloro-5-Methoxypyrimidin-4-Amine

Retrosynthesis analysis of 2-Chloro-5-Methoxypyrimidin-4-Amine

  • Route#1

    Cas:19646-07-2
    Cas:99979-77-8