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

Description

2-(METHYLTHIO)-1,4,5,6-TETRAHYDROPYRIMIDINE HYDROIODIDE, with the molecular formula C6H13IN2S, is a tetrahydropyrimidine derivative featuring a methylthio group at the second position. This chemical compound is widely recognized for its potential as a drug candidate in pharmaceutical research and development, particularly due to its stability and solubility properties in its hydroiodide salt form. Its exploration in biological activities, such as anticonvulsant and neuroprotective properties, positions it as a promising target for drug discovery and development.

Uses

Used in Pharmaceutical Research and Development:
2-(METHYLTHIO)-1,4,5,6-TETRAHYDROPYRIMIDINE HYDROIODIDE is used as a potential drug candidate for the treatment of various diseases, leveraging its stability and solubility in the hydroiodide form, which facilitates research and formulation development.
Used in Neurological Applications:
In the field of neurology, 2-(METHYLTHIO)-1,4,5,6-TETRAHYDROPYRIMIDINE HYDROIODIDE is used as a target for drug discovery due to its neuroprotective properties, which may contribute to the development of treatments for neurological disorders.
Used in Anticonvulsant Medications:
2-(METHYLTHIO)-1,4,5,6-TETRAHYDROPYRIMIDINE HYDROIODIDE is utilized as a compound with anticonvulsant properties, indicating its potential use in the development of medications for the treatment of seizure disorders.

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

• 689259-78-7 (2,2-Dimethyl-3-{3-[3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)propoxy]-phenyl}cyclopropyl)Acetic Acid 
• 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 
• 1403665-44-0 (4-methoxybenzyl)(1,4,5,6-tetrahydropyrimidin-2-yl)amine hydroiodide 
• 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 

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.