4-Aminopyrimidine-5-carboxamide

Base Information

• Chemical Name: 4-Aminopyrimidine-5-carboxamide
• CAS No.: 4786-51-0
• Molecular Formula: C5H6 N4 O
• Molecular Weight: 138.129
• Hs Code.: 29335990
• European Community (EC) Number: 846-624-4
• DSSTox Substance ID: DTXSID40355920
• Wikidata: Q82135023
• ChEMBL ID: CHEMBL4522609
• Mol file: 4786-51-0.mol

Synonyms:4-aminopyrimidine-5-carboxamide;4786-51-0;4-amino-5-pyrimidinecarboxamide;5-Pyrimidinecarboxamide, 4-amino-;5-Pyrimidinecarboxamide, 4-amino- (6CI,7CI,8CI,9CI);5-pyrimidinecarboxamide,4-amino-;Oprea1_220061;SCHEMBL3663171;CHEMBL4522609;4-amino-pyrimidine-5-carboxamide;DTXSID40355920;LHRPKQMNCPCVQL-UHFFFAOYSA-N;MFCD00193995;AKOS000267581;SB55627;AS-68950;4-aminopyrimidine-5-carboxamide, AldrichCPR;CS-0308797;FT-0720226;EN300-132947;AF-399/25108091;Z277538306

Chemical Property of 4-Aminopyrimidine-5-carboxamide

Chemical Property:

• Vapor Pressure: 1.48E-05mmHg at 25°C
• Refractive Index: 1.656
• Boiling Point: 366.3°C at 760 mmHg
• Flash Point: 175.3°C
• PSA: 96.61000
• Density: 1.426g/cm³
• LogP: -0.02800
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: -0.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 138.05416083
• Heavy Atom Count: 10
• Complexity: 138

Purity/Quality:

99.90% ^*data from raw suppliers

4-Aminopyrimidine-5-carboxamide 97% ^*data from reagent suppliers

Safty Information:

• Statements: 20/21/22
• Safety Statements: 36/37-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C(=NC=N1)N)C(=O)N

Technology Process of 4-Aminopyrimidine-5-carboxamide

There total 1 articles about 4-Aminopyrimidine-5-carboxamide which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 65.0%

1,4-dioxane (123-91-1,28347-88-8,28347-91-3,39449-24-6,54841-74-6) + o-(phenylethynyl)benzaldehyde (59046-72-9) → 3-aminopyrazine-2-carboxamide (4786-51-0) + 3-phenyl-1-(2-(vinyloxy)ethoxy)isoquinoline

Guidance literature:

With 3-amino-pyrazine-2-carbohydrazide; silver trifluoromethanesulfonate; Reflux;

DOI:10.1039/c8ob01572d

Reference yield: 1.0%

[2-(3-fluoro-phenyl)-ethoxy]-acetic acid methyl ester + 3-aminopyrazine-2-carboxamide (4786-51-0) → 2-[2-(3-fluoro-phenyl)-ethoxymethyl]-3H-pyrimido[4,5-d]pyrimidin-4-one (1060687-64-0)

Guidance literature:

With lithium hexamethyldisilazane; In tetrahydrofuran; at 20 ℃;

Reference yield:

3-aminopyrazine-2-carboxamide (4786-51-0) → 3-(4-amino-pyrimidin-5-ylmethyl)-5-(2-hydroxy-ethyl)-4-methyl-3H-thiazole-2-thione (49615-40-9)

Guidance literature:

Multi-step reaction with 2 steps

1.1: sodium hydroxide / water / 1 h / 90 °C

1.2: 4 h / 30 °C

2.1: hydrogenchloride / water / 2 h / 60 °C

With hydrogenchloride; sodium hydroxide; In water;

upstream raw materials:

1,4-dioxane

o-(phenylethynyl)benzaldehyde

Downstream raw materials:

3H-pyrimido[4,5-d]pyrimidin-4-one

pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione

2-[2-(3-fluoro-phenyl)-ethoxymethyl]-3H-pyrimido[4,5-d]pyrimidin-4-one

3-(4-amino-pyrimidin-5-ylmethyl)-5-(2-hydroxy-ethyl)-4-methyl-3H-thiazole-2-thione

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