2,4,6-Triaminopyrimidine

Base Information

• Chemical Name: 2,4,6-Triaminopyrimidine
• CAS No.: 1004-38-2
• Deprecated CAS: 42911-01-3,42911-03-5,42911-04-6,42911-03-5,42911-04-6
• Molecular Formula: C4H7N5
• Molecular Weight: 125.133
• Hs Code.: H7N5 MOL WT. 125.14
• European Community (EC) Number: 213-720-7
• NSC Number: 26493
• UNII: D6ZP6F2ECK
• DSSTox Substance ID: DTXSID3061394
• Nikkaji Number: J146.967C
• Wikidata: Q27120379
• Metabolomics Workbench ID: 56350
• ChEMBL ID: CHEMBL571518
• Mol file: 1004-38-2.mol

Synonyms:2,4,6-triaminopyrimidine

Chemical Property of 2,4,6-Triaminopyrimidine

Chemical Property:

• Appearance/Colour: off white powder
• Vapor Pressure: 2.39E-11mmHg at 25°C
• Melting Point: 249-251 °C(lit.)
• Refractive Index: 1.793
• Boiling Point: 530.8 °C at 760 mmHg
• PKA: 6.84(at 20℃)
• Flash Point: 308.2 °C
• PSA: 103.84000
• Density: 1.512 g/cm³
• LogP: 0.96680
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• Water Solubility.: 36.5 g/L (20 ºC)
• XLogP3: -0.8
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 125.07014524
• Heavy Atom Count: 9
• Complexity: 85

Purity/Quality:

99% ^*data from raw suppliers

2,4,6-Triaminopyrimidine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36-37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(N=C(N=C1N)N)N
• Uses: 2,4,6-Triaminopyrimidine is an organic cation used to block paracellular conductance pathways of several epithelia in the rat kidney, ultimately affecting sodium and potassium excretion.

Technology Process of 2,4,6-Triaminopyrimidine

There total 13 articles about 2,4,6-Triaminopyrimidine 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: 85.0%

guanidine nitrate (506-93-4) + malononitrile (109-77-3) → 2,4,6-triaminopyrimidine (1004-38-2)

Guidance literature:

With sodium ethanolate; In ethanol; for 6h; Heating;

DOI:10.1016/j.bmcl.2004.10.037

Reference yield: 80.0%

guanidine hydrochloride (50-01-1) + malononitrile (109-77-3) → 2,4,6-triaminopyrimidine (1004-38-2)

Guidance literature:

With potassium carbonate; for 0.0833333h; microwave irradiation;

DOI:10.1071/CH06388

Reference yield: 74.0%

guanidine nitrate (113-00-8) + malononitrile (109-77-3) → 2,4,6-triaminopyrimidine (1004-38-2)

Guidance literature:

With triethylamine; In ethanol; for 4h; Reflux;

DOI:10.33224/rrch.2020.65.3.02

upstream raw materials:

2,4,6-trichloropyrimidine

5-chloro-pyrimidine-2,4,6-triamine

guanidine nitrate

malononitrile

Downstream raw materials:

6,8-diamino-1H-pyrimido[5,4-g]pteridine-2,4-dione

7-ethyl-6-methyl-pyrido[2,3-d]pyrimidine-2,4-diyldiamine

7-isobutyl-pyrido[2,3-d]pyrimidine-2,4-diyldiamine

5-naphthalen-1-ylazo-pyrimidine-2,4,6-triamine

Refernces

• 1、 AlHazmi, Hassan A.,Albratty, Mohammed M.,El-Sharkawy, Karam A.. "Design, synthesis and biological evaluation of pyrimidine-based derivatives as antitumor agents". . p. 227 - 238. Retrieved 2020/10/06.
• 2、 Goswami, Shyamaprosad,Jana, Subrata,Dey, Swapan,Kumar Adak, Avijit. "Microwave-expedited one-pot, two-component, solvent-free synthesis of functionalized pyrimidines". . p. 120 - 123. Retrieved 2008/02/11.