71735-34-7 Usage
Description
5-methylpyrimidine-2,4,6-triamine, also known as isocytosine, is a chemical compound with a molecular formula C5H7N5. It is a derivative of the pyrimidine base and is classified as a triamine, which means it contains three amino groups. Isocytosine is used in the synthesis of biologically active compounds and pharmaceuticals, and its properties make it a versatile building block in organic chemistry.
Uses
Used in Pharmaceutical Industry:
5-methylpyrimidine-2,4,6-triamine is used as a building block for the synthesis of biologically active compounds and pharmaceuticals due to its versatile chemical properties and reactivity.
Used in Agrochemical Industry:
5-methylpyrimidine-2,4,6-triamine is used as a component in the development of agrochemicals, contributing to the creation of effective and targeted products for agricultural applications.
Used in Materials Science:
5-methylpyrimidine-2,4,6-triamine is used as a component in the research and development of new materials, taking advantage of its unique structure and properties to create innovative materials with specific functions.
Used in Drug Discovery and Development:
5-methylpyrimidine-2,4,6-triamine is used as a valuable tool in drug discovery and development, with its unique structure and reactivity aiding researchers in the design and synthesis of potential therapeutic agents.
Used in Nucleic Acid and Nucleotide Research:
5-methylpyrimidine-2,4,6-triamine is used in the study of the properties and functions of nucleic acids and nucleotides, providing insights into their behavior and potential applications in various fields.
Used in Therapeutic Agent Research:
5-methylpyrimidine-2,4,6-triamine is used in research investigating its potential as a therapeutic agent, exploring its possible applications in treating various diseases and conditions.
Check Digit Verification of cas no
The CAS Registry Mumber 71735-34-7 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 7,1,7,3 and 5 respectively; the second part has 2 digits, 3 and 4 respectively.
Calculate Digit Verification of CAS Registry Number 71735-34:
(7*7)+(6*1)+(5*7)+(4*3)+(3*5)+(2*3)+(1*4)=127
127 % 10 = 7
So 71735-34-7 is a valid CAS Registry Number.
InChI:InChI=1/C5H9N5/c1-2-3(6)9-5(8)10-4(2)7/h1H3,(H6,6,7,8,9,10)
71735-34-7Relevant articles and documents
Carbon protonation of 2,4,6-triaminopyrimidines: Synthesis, NMR studies, and theoretical calculations
Nemeth, Balazs,Weber, Csaba,Veszpremi, Tamas,Gati, Tamas,Demeter, Adam
, p. 4910 - 4918 (2006)
Several C(5)-substituted 2,4,6-triaminopyrimidine derivatives and their HBF4 salts were synthesized to study the carbon protonation of the pyrimidine ring. NMR investigations in DMSO-d6 prove experimentally that, in addition to the usual protonation at N(1), the compounds can be protonated at C(5) as well. We present several new stable cationic σ-complexes in the pyrimidine series, where C(5) protonation predominates over N(1) protonation. Quantum chemical calculations using the B3LYP/cc-pVDZ method were utilized in the gas phase and also in DMSO solvent with the polarized continuum model (PCM) method to rationalize the observed protonation behavior. Results of the calculations accord with the experimental observations and prove that combined steric and electronic effects are responsible for the observed C(5) protonation and for σ-complex stability. We demonstrate that C(5) protonation is a general feature of the 2,4,6-triaminopyrimidine system.
