2-Hydroxypyrimidine hydrochloride - ≥98% , CAS No.38353-09-2

CAS: 38353-09-2 Cat. No.: H111812 Molecular Weight: 132.55 Beilstein Registry Number: 3912056 EC Number: 253-897-8

GRADE & PURITY ≥98%

Synonyms

2-Hydroxypyrimidine hydrochloride | MFCD00012781 | NSC 56052 | AI3-60177 | EN300-34914 | AKOS005258804 | AKOS040759315 | 1,2-dihydropyrimidin-2-one hydrochloride | 2-Hydroxypyrimidine hydrogenchloride | pyrimidin-2-ol hydrochloride | EINECS 253-897-8 | 7-

Storage

Argon charged,Room temperature

Shipped In

Normal

Overview

application：

2-Hydroxypyrimidine Hydrochloride, is used as a reagent in the synthesis of BI 207524, an indole diamide NS5B thumb pocket 1 inhibitor with improved potency for potential treatment of chronic hepatitis C virus infection.

Specifications

Synonyms

2-Hydroxypyrimidine hydrochloride | MFCD00012781 | NSC 56052 | AI3-60177 | EN300-34914 | AKOS005258804 | AKOS040759315 | 1, 2-dihydropyrimidin-2-one hydrochloride | 2-Hydroxypyrimidine hydrogenchloride | pyrimidin-2-ol hydrochloride | EINECS 253-897-8 | 7-

Specifications & Purity

≥98%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504756882
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504756882
• Canonical Smiles: C1=CNC(=O)N=C1.Cl
• IUPAC Name: 1H-pyrimidin-2-one;hydrochloride
• InChIKey: IAJINJSFYTZPEJ-UHFFFAOYSA-N
• INCHI: 1S/C4H4N2O.ClH/c7-4-5-2-1-3-6-4;/h1-3H,(H,5,6,7);1H
• Isomeric SMILES: C1=CNC(=O)N=C1.Cl
• WGK Germany: 3
• Molecular Weight: 132.55
• Beilstein: 3912056
• Reaxy-Rn: 3912056
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3912056&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Diazines
      • Subclass Pyrimidines and pyrimidine derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Diazines
• Subclass: Pyrimidines and pyrimidine derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrimidones
• Alternative Parents: Hydropyrimidines Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyrimidone - Hydropyrimidine - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Hydrochloride - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as pyrimidones. These are compounds that contain a pyrimidine ring, which bears a ketone. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Solubility: DMSO (Slightly), Methanol (Slightly)
• Sensitivity: Hygroscopic.
• Melt Point(°C): 200-205°C
• Molecular Weight: 132.550 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 132.009 Da
• Monoisotopic Mass: 132.009 Da
• Topological Polar Surface Area: 41.500 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 137.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

XLogP3

References

1. Guojun Zhou, Yanting Wang, Yilin Mao, Caihong Guo, Jian Zhang, Maxim S. Molokeev, Zhiguo Xia, Xian-Ming Zhang.  (2024)  Temperature/Component-Dependent Luminescence in Lead-Free Hybrid Metal Halides for Temperature Sensor and Anti-Counterfeiting.  ADVANCED FUNCTIONAL MATERIALS,  34  (34): (2401860).  [PMID:] [10.1002/adfm.202401860]