4-Amino-2-(pyrrolidin-1-yl)pyrimidine-5-carbonitrile

Base Information

Chemical Name:4-Amino-2-(pyrrolidin-1-yl)pyrimidine-5-carbonitrile
CAS No.:55441-53-7
Molecular Formula:C₉H₁₁N₅
Molecular Weight:189.22
Hs Code.:
DSSTox Substance ID:DTXSID90383238
Wikidata:Q82174890
Mol file:55441-53-7.mol

Synonyms:55441-53-7;4-amino-2-(pyrrolidin-1-yl)pyrimidine-5-carbonitrile;4-amino-2-(1-pyrrolidinyl)-5-pyrimidinecarbonitrile;4-amino-2-pyrrolidin-1-ylpyrimidine-5-carbonitrile;DTXSID90383238;CCG-42452;AKOS013465141;FT-0617438;SR-01000632450-1;1-ACETYL-4-(2-HYDROXY-ETHYL)-PIPERAZINEXHCL;4-amino-2-(1-pyrrolidinyl)-5-pyrimidinecarbonitrile, AldrichCPR

Suppliers and Price of 4-Amino-2-(pyrrolidin-1-yl)pyrimidine-5-carbonitrile

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

American Custom Chemicals Corporation
4-AMINO-2-(1-PYRROLIDINYL)-5-PYRIMIDINECARBONITRILE 95.00%
25G
$ 1980.43

Total 6 raw suppliers

Chemical Property of 4-Amino-2-(pyrrolidin-1-yl)pyrimidine-5-carbonitrile

Chemical Property:

Vapor Pressure:2.33E-08mmHg at 25°C
Melting Point:237 - 239 ºC
Boiling Point:452ºC at 760 mmHg
Flash Point:227.1 ºC
PSA：78.83000
Density:1.32 g/cm³
LogP:1.17688
XLogP3:1.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:1
Exact Mass:189.10144537
Heavy Atom Count:14
Complexity:239

Purity/Quality:

98%Min ^*data from raw suppliers

4-AMINO-2-(1-PYRROLIDINYL)-5-PYRIMIDINECARBONITRILE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s): R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.;
Hazard Codes: Xn:Harmful;
Statements: 36
Safety Statements: 26

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1CCN(C1)C2=NC=C(C(=N2)N)C#N

Technology Process of 4-Amino-2-(pyrrolidin-1-yl)pyrimidine-5-carbonitrile

There total 2 articles about 4-Amino-2-(pyrrolidin-1-yl)pyrimidine-5-carbonitrile 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:

: 123-75-1
pyrrolidine

: 17356-08-0
thiourea

: 123-06-8
Ethoxymethylenemalononitrile

: 55441-53-7
4-amino-2-pyrrolidin-1-yl-pyrimidine-5-carbonitrile

Guidance literature:: With high-bonded Merrifield-resin; N-ethyl-N,N-diisopropylamine; 3-chloro-benzenecarboperoxoic acid; Yield given. Multistep reaction; solid-phase synthesis: 1) EtOH, dioxane, 85 deg C, 2) DMF, 0 deg C, 96 h, 3) CH₂Cl₂, RT, 18 h, 4) dioxane, RT, 3 h;
DOI:10.1002/hlca.19980810315