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5-Pyrimidinemethanamine, alpha-methyl(9CI), also known as 5-(1-Aminoethyl)pyrimidine, is an organic compound that serves as an intermediate in the synthesis of various pharmaceuticals and chemical compounds. It is characterized by its unique molecular structure, which includes a pyrimidine ring with an alpha-methyl group and an aminoethyl side chain. This structure endows it with specific chemical properties and reactivity, making it a valuable component in the development of new drugs and other chemical products.

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  • 179323-61-6 Structure
  • Basic information

    1. Product Name: 5-Pyrimidinemethanamine, alpha-methyl- (9CI)
    2. Synonyms: 5-Pyrimidinemethanamine, alpha-methyl- (9CI);1-(Pyrimidin-5-yl)ethanamine;5-(1-AMinoethyl)pyriMidin...;5-(1-AMinoethyl)pyriMidine;alpha-Methyl-5-pyrimidinemethanamine;1-Pyrimidin-5-yl-ethylamine;1-pyrimidin-5-ylethanamine,5-Pyrimidinemethanamine, alpha-methyl- (9CI);1-(pyrimidin-5-yl)ethan-1-amine
    3. CAS NO:179323-61-6
    4. Molecular Formula: C6H9N3
    5. Molecular Weight: 123.15576
    6. EINECS: N/A
    7. Product Categories: PYRIMIDINE
    8. Mol File: 179323-61-6.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 220.357 °C at 760 mmHg
    3. Flash Point: 109.532 °C
    4. Appearance: /
    5. Density: 1.089 g/cm3
    6. Vapor Pressure: 0.114mmHg at 25°C
    7. Refractive Index: 1.54
    8. Storage Temp.: N/A
    9. Solubility: N/A
    10. CAS DataBase Reference: 5-Pyrimidinemethanamine, alpha-methyl- (9CI)(CAS DataBase Reference)
    11. NIST Chemistry Reference: 5-Pyrimidinemethanamine, alpha-methyl- (9CI)(179323-61-6)
    12. EPA Substance Registry System: 5-Pyrimidinemethanamine, alpha-methyl- (9CI)(179323-61-6)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. RIDADR: UN1760
    5. WGK Germany:
    6. RTECS:
    7. HazardClass: N/A
    8. PackingGroup: N/A
    9. Hazardous Substances Data: 179323-61-6(Hazardous Substances Data)

179323-61-6 Usage

Uses

Used in Pharmaceutical Industry:
5-Pyrimidinemethanamine, alpha-methyl(9CI) is used as a key intermediate in the synthesis of benzimidazolone muscarinic antagonists. These antagonists are important in the development of drugs targeting the muscarinic acetylcholine receptors, which play a crucial role in various physiological processes. By modulating the activity of these receptors, benzimidazolone muscarinic antagonists can be employed to treat a range of conditions, including gastrointestinal disorders, respiratory diseases, and neurological conditions.
In the synthesis process, 5-(1-Aminoethyl)pyrimidine acts as a building block, providing the necessary structural elements for the formation of the final benzimidazolone compound. Its reactivity and compatibility with other chemical groups make it an ideal candidate for use in the development of these pharmaceutical agents.
Overall, 5-Pyrimidinemethanamine, alpha-methyl(9CI) is a versatile and valuable compound in the pharmaceutical industry, playing a crucial role in the synthesis of muscarinic antagonists and potentially other drug classes. Its unique properties and reactivity contribute to the ongoing development of new and effective treatments for a variety of medical conditions.

Check Digit Verification of cas no

The CAS Registry Mumber 179323-61-6 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,7,9,3,2 and 3 respectively; the second part has 2 digits, 6 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 179323-61:
(8*1)+(7*7)+(6*9)+(5*3)+(4*2)+(3*3)+(2*6)+(1*1)=156
156 % 10 = 6
So 179323-61-6 is a valid CAS Registry Number.
InChI:InChI=1/C6H9N3/c1-5(7)6-2-8-4-9-3-6/h2-5H,7H2,1H3

179323-61-6SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 13, 2017

Revision Date: Aug 13, 2017

1.Identification

1.1 GHS Product identifier

Product name 1-pyrimidin-5-ylethanamine

1.2 Other means of identification

Product number -
Other names 1-(Pyrimidin-5-yl)ethanamine

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:179323-61-6 SDS

179323-61-6Upstream product

179323-61-6Downstream Products

179323-61-6Relevant articles and documents

Discovery of a Series of Pyrimidine Carboxamides as Inhibitors of Vanin-1

Casimiro-Garcia, Agustin,Allais, Christophe,Brennan, Agnes,Choi, Chulho,Dower, Gabriela,Farley, Kathleen A.,Fleming, Margaret,Flick, Andrew,Frisbie, Richard K.,Hall, Justin,Hepworth, David,Jones, Hannah,Knafels, John D.,Kortum, Steve,Lovering, Frank E.,Mathias, John P.,Mohan, Sashi,Morgan, Paul M.,Parng, Chuenlei,Parris, Kevin,Pullen, Nick,Schlerman, Franklin,Stansfield, John,Strohbach, Joseph W.,Vajdos, Felix F.,Vincent, Fabien,Wang, Hong,Wang, Xiaolun,Webster, Robert,Wright, Stephen W.

, p. 757 - 784 (2022/01/20)

A diaryl ketone series was identified as vanin-1 inhibitors from a high-throughput screening campaign. While this novel scaffold provided valuable probe 2 that was used to build target confidence, concerns over the ketone moiety led to the replacement of this group. The successful replacement of this moiety was achieved with pyrimidine carboxamides derived from cyclic secondary amines that were extensively characterized using biophysical and crystallographic methods as competitive inhibitors of vanin-1. Through optimization of potency and physicochemical and ADME properties, and guided by co-crystal structures with vanin-1, 3 was identified with a suitable profile for advancement into preclinical development.

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