5-Hydroxytetrahydropyrimidin-2(1H)-one - ≥95% , CAS No.1852-18-2

CAS: 1852-18-2 Cat. No.: H694463 Molecular Weight: 116.12 EC Number: 217-444-8 PubChem CID: 74616

GRADE & PURITY ≥95%

Synonyms

Tetrahydro-5-hydroxy-1H-pyrimidin-2-one | EINECS 217-444-8 | DTXSID80171742 | NSC 38458 | NSC 53289 | RefChem:897142 | DTXCID0094233 | 217-444-8 | 5-hydroxy-1,3-diazinan-2-one | 5-hydroxytetrahydropyrimidin-2(1h)-one | 5-hydroxytetrahydro-2(1H)-pyrimidino

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Specifications

Synonyms

Tetrahydro-5-hydroxy-1H-pyrimidin-2-one | EINECS 217-444-8 | DTXSID80171742 | NSC 38458 | NSC 53289 | RefChem:897142 | DTXCID0094233 | 217-444-8 | 5-hydroxy-1, 3-diazinan-2-one | 5-hydroxytetrahydropyrimidin-2(1h)-one | 5-hydroxytetrahydro-2(1H)-pyrimidino

Specifications & Purity

≥95%

Storage

Store at 2-8°C, Protected from light

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥95%

Names and Identifiers

• Canonical Smiles: C1C(CNC(=O)N1)O
• IUPAC Name: 5-hydroxy-1,3-diazinan-2-one
• InChIKey: PZSCGIVZIUKDAJ-UHFFFAOYSA-N
• INCHI: 1S/C4H8N2O2/c7-3-1-5-4(8)6-2-3/h3,7H,1-2H2,(H2,5,6,8)
• Isomeric SMILES: C1C(CNC(=O)N1)O
• PubChem CID: 74616
• Molecular Weight: 116.12

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: Diazinanes Ureas Secondary alcohols Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Pyrimidone - 1,3-diazinane - Carbonic acid derivative - Secondary alcohol - Urea - Azacycle - Carbonyl group - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Alcohol - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Aliphatic 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

• Sensitivity: light and moisture sensitive
• Molecular Weight: 116.120 g/mol
• XLogP3: -1.500
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 116.059 Da
• Monoisotopic Mass: 116.059 Da
• Topological Polar Surface Area: 61.400 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 94.200
• 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: 1