4,6-Dimethylfuro[2,3-d]pyrimidin-2-amine - Reagent grade , CAS No.22727-43-1

CAS: 22727-43-1 Cat. No.: D478855 Peso molecular: 163.18

GRADE & PURITY Reagent Grade

Synonyms

6-Amino-2,4-dimethyl-5,7-diazabenzofuran | 4,6-Dimethylfuro[2,3-d]pyrimidin-2-amine | Oprea1_258760 | Furo[2,3-d]pyrimidin-2-amine, 4,6-dimethyl- | Oprea1_231837 | 4,6-Dimethylfuro[2,3-d]pyrimidin-2-amine, AldrichCPR | XAA72743 | MFCD00461660 | STL512126

Storage

Room temperature

Specifications

Sinónimos

6-Amino-2, 4-dimethyl-5, 7-diazabenzofuran | 4, 6-Dimethylfuro[2, 3-d]pyrimidin-2-amine | Oprea1_258760 | Furo[2, 3-d]pyrimidin-2-amine, 4, 6-dimethyl- | Oprea1_231837 | 4, 6-Dimethylfuro[2, 3-d]pyrimidin-2-amine, AldrichCPR | XAA72743 | MFCD00461660 | STL512126

Especificaciones y pureza

Reagent grade

Información jurídica

Product of ChemBridge Corp.

Condiciones de almacenamiento de almacenamiento

Room temperature

Grado

Reagent Grade

Nombres e identificadores

• Sonrisas canónicas: CC1=CC2=C(N=C(N=C2O1)N)C
• IUPAC Name: 4,6-dimethylfuro[2,3-d]pyrimidin-2-amine
• InChIKey: MSEVJFYMGKQFNO-UHFFFAOYSA-N
• INCHI: 1S/C8H9N3O/c1-4-3-6-5(2)10-8(9)11-7(6)12-4/h3H,1-2H3,(H2,9,10,11)
• Isómeros SMILES: CC1=CC2=C(N=C(N=C2O1)N)C
• Peso molecular: 163.18
• Reaxy-Rn: 1567913
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1567913&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Furo[2,3-d]pyrimidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Furo[2,3-d]pyrimidines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Furo[2,3-d]pyrimidines
• Alternative Parents: Aminopyrimidines and derivatives Heteroaromatic compounds Furans Oxacyclic compounds Azacyclic compounds Primary amines Organopnictogen compounds Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Furo[2,3-d]pyrimidine - Aminopyrimidine - Pyrimidine - Furan - Heteroaromatic compound - Azacycle - Oxacycle - Amine - Organopnictogen compound - Primary amine - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as furo[2,3-d]pyrimidines. These are aromatic heteropolycyclic compounds containing a furo[2,3-d]pyrimidine ring system, which is a furopyrimidine isomer having the on ring oxygen atom, and 2 nitrogen atoms at the 1-, 5-, and 7-positions, respectively.
• 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 inflamación (°F): Not applicable
• Punto de inflamación (°C): Not applicable
• Peso molecular: 163.180 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 163.075 Da
• Monoisotopic Mass: 163.075 Da
• Topological Polar Surface Area: 64.900 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 176.000
• 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