4-Aminopyrimidine-5-carboxaldehyde - ≥97% , CAS No.16357-83-8

CAS: 16357-83-8 Cat. No.: A167735 Formula: C₅H₅N₃O Peso molecolare: 123.11 Numero EC: 803-128-2

GRADE & PURITY ≥97%

Synonyms

PDZKNPQAPGGAFJ-UHFFFAOYSA-N | SCHEMBL1703145 | DTXSID90459326 | 4-Amino-pyrimidine-5-carbaldehyde | 4-aminopyrimidine-5-carbaldehyde | 4-AMINOPYRIMIDINE-5-CARBOXALDEHYDE | (R)-3-BENZYLOXY-PYRROLIDINEHYDROCHLORIDE | 5-PYRIMIDINECARBOXALDEHYDE, 4-AMINO- | 4

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Specifications

Sinonimi

PDZKNPQAPGGAFJ-UHFFFAOYSA-N | SCHEMBL1703145 | DTXSID90459326 | 4-Amino-pyrimidine-5-carbaldehyde | 4-aminopyrimidine-5-carbaldehyde | 4-AMINOPYRIMIDINE-5-CARBOXALDEHYDE | (R)-3-BENZYLOXY-PYRROLIDINEHYDROCHLORIDE | 5-PYRIMIDINECARBOXALDEHYDE, 4-AMINO- | 4

Specifiche e purezza

≥97%

Condizioni di conservazione di stoccaggio

Store at 2-8°C,Protected from light,Argon charged

Spedito in

Wet ice

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥97%

Nomi e identificatori

• Sorrisi canonici: C1=C(C(=NC=N1)N)C=O
• IUPAC Name: 4-aminopyrimidine-5-carbaldehyde
• InChIKey: PDZKNPQAPGGAFJ-UHFFFAOYSA-N
• INCHI: 1S/C5H5N3O/c6-5-4(2-9)1-7-3-8-5/h1-3H,(H2,6,7,8)
• Isomeri SMILES: C1=C(C(=NC=N1)N)C=O
• WGK Germania: 3
• Peso molecolare: 123.11
• Reaxy-Rn: 878527
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=878527&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: Aminopyrimidines and derivatives
• Alternative Parents: Aryl-aldehydes Imidolactams Vinylogous amides Heteroaromatic compounds Azacyclic compounds Primary amines Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aminopyrimidine - Aryl-aldehyde - Imidolactam - Vinylogous amide - Heteroaromatic compound - Azacycle - Aldehyde - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Primary amine - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Amine - Aromatic heteromonocyclic compound
• Descrizione: 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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: Slightly soluble in water.
• Sensibilità: light & heat & air sensitive
• Punto di fusione (°C): 187-193 °C
• Peso molecolare: 123.110 g/mol
• XLogP3: -0.100
• 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: 106.000
• 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