5-Ethyluracil - ≥98%(HPLC) , CAS No.4212-49-1

CAS: 4212-49-1 Cat. No.: E135137 Formule: C₆H₈N₂O₂ Poids moléculaire: 140.14 Beilstein Registry Number: 24(5)7,226 Numéro CE: 622-736-7

GRADE & PURITY ≥98%(HPLC)

Synonyms

SB57227 | SY002972 | DTXSID60194959 | E0807 | 2,4(1H,3H)-Pyrimidinedione, 5-ethyl- | 5-ethylpyrimidine-2,4(1h,3h)-dione | 5-ethyl-1H-pyrimidine-2,4-dione | GS-3069 | 5-Ethyluracil | 1,2,3,4-Tetrahydropyrimidine, 5-ethyl-2,4-dioxo- | 5-Ethyl uracil | AKOS0

Storage

Room temperature

Shipped In

Normal

Specifications

Synonymes

SB57227 | SY002972 | DTXSID60194959 | E0807 | 2,4(1H,3H)-Pyrimidinedione, 5-ethyl- | 5-ethylpyrimidine-2,4(1h,3h)-dione | 5-ethyl-1H-pyrimidine-2,4-dione | GS-3069 | 5-Ethyluracil | 1,2,3,4-Tetrahydropyrimidine, 5-ethyl-2,4-dioxo- | 5-Ethyl uracil | AKOS0

Spécifications et pureté

≥98%(HPLC)

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥98%(HPLC)

Noms et identifiants

Pubchem Sid

488184772

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488184772

Sourires canoniques

CCC1=CNC(=O)NC1=O

IUPAC Name

5-ethyl-1H-pyrimidine-2,4-dione

InChIKey

RHIULBJJKFDJPR-UHFFFAOYSA-N

INCHI

1S/C6H8N2O2/c1-2-4-3-7-6(10)8-5(4)9/h3H,2H2,1H3,(H2,7,8,9,10)

Isomères SMILES

CCC1=CNC(=O)NC1=O

Poids moléculaire

140.14

Beilstein

24(5)7,226

Reaxy-Rn

119494

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=119494&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Diazines
• Subclass: Pyrimidines and pyrimidine derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrimidones
• Alternative Parents: Hydropyrimidines Vinylogous amides Heteroaromatic compounds Ureas Lactams Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyrimidone - Hydropyrimidine - Heteroaromatic compound - Vinylogous amide - Urea - Lactam - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - 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

Propriétés chimiques et physiques

• Solubilité: Soluble in ammonia water
• Point de fusion (°C): 303°C(lit.)
• Poids moléculaire: 140.140 g/mol
• XLogP3: -0.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 140.059 Da
• Monoisotopic Mass: 140.059 Da
• Topological Polar Surface Area: 58.200 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 208.000
• 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: 1