5445-73-8

Basic information

• Product Name: 2-(METHYLTHIO)-1,4,5,6-TETRAHYDROPYRIMIDINE HYDROIODIDE
• Synonyms: 1,4,5,6-tetrahydro-2-methylthio-pyrimidiniuiodide;2-(METHYLSULFANYL)-1,4,5,6-TETRAHYDROPYRIMIDINE HYDROIODIDE;2-(METHYLTHIO)-1,4,5,6-TETRAHYDROPYRIMIDINE HYDROIODIDE;2-(Methylsulphanyl)-1,4,5,6-tetrahydropyrimidine hydroiodide, 2-(Methylmercapto)-1,4,5,6-tetrahydropyrimidine hydroiodide;2-Methylmercapto-.delta.(sup 2)-tetrahydropyrimidinium iodide;2-Methylmercapto-delta(sup 2)-tetrahydropyrimidinium iodide;Pyrimidine, 1,4,5,6-tetrahydro-2-(methylthio)-, monohydriodide;Pyrimidine, 1,4,5,6-tetrahydro-2-(methylthio)-, monohydriodide (8CI)(9CI)
• CAS NO: 5445-73-8
• Molecular Formula: C₅H₁₀N₂S*HI
• Molecular Weight: 258.12
• Product Categories: Ring Systems
• Mol File: 5445-73-8.mol
• Article Data: 8

Chemical Properties

• Melting Point: 138-139°
• Boiling Point: 208°Cat760mmHg
• Flash Point: 79.6°C
• Appearance: /
• Density: g/cm³
• Vapor Pressure: 0.219mmHg at 25°C
• CAS DataBase Reference: 2-(METHYLTHIO)-1,4,5,6-TETRAHYDROPYRIMIDINE HYDROIODIDE(CAS DataBase Reference)
• NIST Chemistry Reference: 2-(METHYLTHIO)-1,4,5,6-TETRAHYDROPYRIMIDINE HYDROIODIDE(5445-73-8)
• EPA Substance Registry System: 2-(METHYLTHIO)-1,4,5,6-TETRAHYDROPYRIMIDINE HYDROIODIDE(5445-73-8)

Safety Data

• Hazard Codes: Xi
• HazardClass: IRRITANT
• Hazardous Substances Data: 5445-73-8(Hazardous Substances Data)

Usage

General Description

2-(Methylthio)-1,4,5,6-tetrahydropyrimidine hydroiodide is a chemical compound with the molecular formula C6H13IN2S. It is a tetrahydropyrimidine derivative with a methylthio group attached to the second position. 2-(METHYLTHIO)-1,4,5,6-TETRAHYDROPYRIMIDINE HYDROIODIDE is commonly used in pharmaceutical research and development as a potential drug candidate for the treatment of various diseases. The hydroiodide salt form of this compound is most commonly used in research due to its stability and solubility properties. 2-(Methylthio)-1,4,5,6-tetrahydropyrimidine hydroiodide has been studied for its potential biological activities such as anticonvulsant and neuroprotective properties, making it a target for further drug discovery and development.

InChI:InChI=1/C5H10N2S.HI/c1-8-5-6-3-2-4-7-5;/h2-4H2,1H3,(H,6,7);1H

Upstream product

• 2055-46-1 2-mercapto-3,4,5,6-tetrahydropyrimidine 
• 74-88-4 methyl iodide 
• 2055-46-1 3,4,5,6-tetrahydropyrimidine-2-thione 

Downstream Products

• 1403665-44-0 (4-methoxybenzyl)(1,4,5,6-tetrahydropyrimidin-2-yl)amine hydroiodide 
• 689259-78-7 (2,2-Dimethyl-3-{3-[3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)propoxy]-phenyl}cyclopropyl)Acetic Acid 
• 689259-69-6 (2-{4-[3-(1,4,5,6-Tetrahydropyrimidin-2-ylamino)propoxy]phenyl}-cyclopropyl)Acetic Acid 
• 192945-03-2 3-({1-[3-(1,4,5,6-tetrahydro-pyrimidin-2-ylamino)-propyl]-1H-indazole-5-carbonyl}-amino)-2-(2,4,6-trimethyl-benzenesulfonylamino)-propionic acid tert-butyl ester 
• 121568-15-8 (2-Fluoro-phenyl)-(2-methylsulfanyl-5,6-dihydro-4H-pyrimidin-1-yl)-methanone 
• 1852-17-1 3,4,5,6-tetrahydropyrimidin-2(1H)-one 
• 49541-79-9 2-Hydrazino-1,4,5,6-tetrahydropyrimidine monohydroiodide 
• 121568-34-1 (5-Chloro-2-nitro-phenyl)-(2-methylsulfanyl-5,6-dihydro-4H-pyrimidin-1-yl)-methanone 
• 121568-35-2 (5-Methyl-2-nitro-phenyl)-(2-methylsulfanyl-5,6-dihydro-4H-pyrimidin-1-yl)-methanone 

Relevant articles and documents

THERAPEUTIC COMPOUNDS

The invention provides compounds of formula Ia′, Ib′, Ic′, and Id′: and pharmaceutically acceptable salts thereof, wherein the variables A, R6, R7, R8, R9, Rx, L, X, Y, and Z have the meaning as described herein. The compounds are useful for reducing endoplasmic reticulum stress and for producing analgesia in an animal.

Synthesis, antihistaminic action and theoretical studies of (4-methoxybenzyl)(1,4,5,6-tetrahydropirimidin-2-yl)amine hydroiodide

In this study, (4-methoxybenzyl)(1,4,5,6-tetrahydropyrimidin-2-yl)amine hydroiodide (2) was synthesized by reaction of 2-methylmercapto-1,4,5,6- tetrahydropyrimidine hydroiodide (1) and 4-methoxybenzylamine. The synthesized compound was tested for its in vitro H1-antihistaminic activity on guinea pig trachea. A promising bronchorelaxant effect of 2 was observed in histamine-contracted guinea pig tracheal chain via H1 receptor antagonism. In addition, the molecular geometry and gauge including atomic orbital (GIAO) 1H chemical shift values of the title compound in the ground state were calculated using the density functional method (DFT/UB3LYP) and Hartree-Fock (HF) approach using 6-311G+(d), 6-311G+(d,p), LANL2DZ, DGDZVP, and DGDZVP2 basis sets and compared with the experimental data. According to the experimental and theoretical results, HF/6-311G+(d) showed a better fit to experimental values in evaluating 1H-nuclear magnetic resonance (NMR) chemical shift values. Theoretical studies supported our findings, revealing the N12 atom as the most nucleophilic. In addition, other structures of the compound such as the aromatic ring and OCH3 group increased this property.

Compounds with antiparasitic activity and medicines containing same

The invention relates to compounds having an anti-parasitic, in particular antimalarial activity, characterized in that they correspond to general formula (I) Applications in particular as compounds with anti-parasitic activity.