69785-94-0

Basic information

• Product Name: 4(1H)-Pyrimidinone, 5-amino- (9CI)
• Synonyms: 5-aMinopyriMidin-4-ol;5-AMino-4-hydroxypyriMidine;4(1H)-PyriMidinone, 5-aMino-;5-AMinopyriMidin-4(3H)-one;5-Amino-4(1H)-pyrimidinone;5-Amino-4-pyrimidinol;5-Amino-4(3H)-pyrimidinone;4(1H)-Pyrimidinone, 5-amino- (9CI)
• CAS NO: 69785-94-0
• Molecular Formula: C₄H₅N₃O
• Molecular Weight: 111.102
• Product Categories: PYRIMIDINE;Building Blocks
• Mol File: 69785-94-0.mol
• Article Data: 2

Chemical Properties

• Melting Point: 206-208 °C
• Boiling Point: 312.4°C at 760 mmHg
• Flash Point: 142.7°C
• Appearance: /
• Density: 1.45g/cm³
• Vapor Pressure: 0.000289mmHg at 25°C
• Refractive Index: 1.668
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• PKA: 8.89±0.40(Predicted)
• CAS DataBase Reference: 4(1H)-Pyrimidinone, 5-amino- (9CI)(CAS DataBase Reference)
• NIST Chemistry Reference: 4(1H)-Pyrimidinone, 5-amino- (9CI)(69785-94-0)
• EPA Substance Registry System: 4(1H)-Pyrimidinone, 5-amino- (9CI)(69785-94-0)

Safety Data

• Hazardous Substances Data: 69785-94-0(Hazardous Substances Data)

Usage

Description

4(1H)-Pyrimidinone, 5-amino(9CI), also known as 5-Aminopyrimidin-4-ol, is an organic compound with a pyrimidinone structure and an amino group at the 5th position. It serves as a key intermediate in the synthesis of various pharmaceutical compounds, particularly those with therapeutic applications.

Uses

Used in Pharmaceutical Industry:
4(1H)-Pyrimidinone, 5-amino(9CI) is used as a reactant in the synthesis of thrombin inhibitors. It plays a crucial role in the development of analogs of MD805, which are designed to contain non-polar surrogates for arginine at the P1 position. These thrombin inhibitors have potential applications in the treatment of various medical conditions, such as blood clotting disorders and cardiovascular diseases, by regulating the activity of thrombin, a key enzyme in the blood coagulation process.

InChI:InChI=1/C4H5N3O/c5-3-1-6-2-7-4(3)8/h1-2H,5H2,(H,6,7,8)

Upstream product

• 3137-60-8 5-amino-4-chloro-6-hydroxypyrimidine 
• 106289-05-8 5-Formylamino-4-hydroxypyrimidine 
• 6935-11-1 2-ethylmercapto-5-amino-3H-pyrimidin-4-one 

Downstream Products

• 918880-71-4 N-(4-hydroxy-5-pyrimidinyl)-4-chloro-3-cyanobenzamide 
• 273-64-3 [1,3]oxazolo[5,4-d]pyrimidine 
• 53897-99-7 1H-1,2,3-triazole-4-carboxamide 
• 106913-63-7 C₄H₄N₄O₂ 
• 57417-53-5 5-amino-3H-pyrimidine-4-thione 

Relevant articles and documents

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TRANSFORMATIONS OF SUBSTITUTED 5-AMINOPYRIMIDINES UNDER CONDITIONS OF THE DIAZOTIZATION

Reaction of nitrous acid with 4-substituted and 4,6-disubstituted 5-aminopyrimidines Ia-In produces 4-substituted and 4,5-disubstituted 1,2,3-triazoles IIa-IIv, resp.Under similar conditions, 2,5-diaminopyrimidines XIIa-XIId give N(7)-oxides of 2-amino-4-aralkylthiopyrimido-1,2,3-triazines XIIIa-XIIId, and 5-amino-4-chloropyrimidines In and X give 2-diazocyanoacetamides XIa and XIb, resp.Also described are syntheses of 5-formylaminopyrimidines XVa-XVg from glycine ethyl ester via sodium salt XVI.