2-Aminopyrimidine-5-carboxaldehyde - ≥97% , CAS No.120747-84-4

CAS: 120747-84-4 Cat. No.: A123166 Peso molecular: 123.11 Número EC: 682-941-2

GRADE & PURITY ≥97%

Synonyms

BCP27591 | BB 0240267 | FT-0646875 | EN300-130565 | VU0549469-1 | 5-PYRIMIDINECARBOXALDEHYDE, 2-AMINO- | 2-Amino-pyrimidine-5-carbaldehyde | 2-Aminopyrimidine-5-carbaldehyde | DS-11057 | PB12291 | SCHEMBL528074 | 2-AMINO-5-PYRIMIDINECARBOXALDEHYDE | 2-Ami

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

BCP27591 | BB 0240267 | FT-0646875 | EN300-130565 | VU0549469-1 | 5-PYRIMIDINECARBOXALDEHYDE, 2-AMINO- | 2-Amino-pyrimidine-5-carbaldehyde | 2-Aminopyrimidine-5-carbaldehyde | DS-11057 | PB12291 | SCHEMBL528074 | 2-AMINO-5-PYRIMIDINECARBOXALDEHYDE | 2-Ami

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 488191454
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488191454
• Sonrisas canónicas: C1=C(C=NC(=N1)N)C=O
• IUPAC Name: 2-aminopyrimidine-5-carbaldehyde
• InChIKey: DPOYRRAYGKTRAU-UHFFFAOYSA-N
• INCHI: 1S/C5H5N3O/c6-5-7-1-4(3-9)2-8-5/h1-3H,(H2,6,7,8)
• Isómeros SMILES: C1=C(C=NC(=N1)N)C=O
• WGK Alemania: 3
• Peso molecular: 123.11
• Reaxy-Rn: 3602378
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3602378&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Diazines
• Subclass: Pyrimidines and pyrimidine derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Aminopyrimidines and derivatives
• Alternative Parents: Aryl-aldehydes Heteroaromatic compounds Azacyclic compounds Primary amines Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aryl-aldehyde - Aminopyrimidine - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Amine - Aldehyde - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as aminopyrimidines and derivatives. These are organic compounds containing an amino group attached to a pyrimidine ring. 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

Propiedades químicas y físicas

• Punto de fusión (°C): 209-214°C
• Peso molecular: 123.110 g/mol
• XLogP3: -0.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 123.043 Da
• Monoisotopic Mass: 123.043 Da
• Topological Polar Surface Area: 68.900 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 98.400
• 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