2-Amino-4-methoxy-6-methylpyrimidine - ≥98%(T) , CAS No.7749-47-5

CAS: 7749-47-5 Cat. No.: A151323 Peso molecular: 139.16 Beilstein Registry Number: 121733 Número EC: 620-757-6

GRADE & PURITY ≥98%(T)

Synonyms

2-Pyrimidinamine, 4-methoxy-6-methyl- | AKOS005255063 | BCP10950 | SB57419 | A0950 | DS-0696 | Oprea1_769683 | 4-Methoxy-6-methyl-2-pyrimidinamine # | FT-0611117 | SY031387 | EN300-114509 | Z354268308 | 2-Amino-4-Methyl-6-Methoxy Pyrimidine | 2-Amino-4-me

Storage

Room temperature

Shipped In

Normal

Descripción general

It is a pyrimidine derivative. It acts as electron donor and forms charge transfer complexes with iodine (σ-electron acceptor). The FTIR and FT-Raman spectra of 2-amino-4-methoxy-6-methylpyrimidine have been recorded to evaluate the energy, structural and thermodynamical parameters. Molecules of AMMP exhibit space group of Pnma and are joined by two N-H…N hydrogen bonds.
It may be employed as nucleophile to investigate the regioselective introduction of some nucleophiles at the secondary position of Baylis-Hillman adducts. It may be used in the preparation of 2-amino-4-methoxy-6-methylpyrimidin-1-ium picrate.

Specifications

Sinónimos

2-Pyrimidinamine, 4-methoxy-6-methyl- | AKOS005255063 | BCP10950 | SB57419 | A0950 | DS-0696 | Oprea1_769683 | 4-Methoxy-6-methyl-2-pyrimidinamine # | FT-0611117 | SY031387 | EN300-114509 | Z354268308 | 2-Amino-4-Methyl-6-Methoxy Pyrimidine | 2-Amino-4-me

Especificaciones y pureza

≥98%(T)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%(T)

Nombres e identificadores

• Pubchem Sid: 488190476
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488190476
• Sonrisas canónicas: CC1=CC(=NC(=N1)N)OC
• IUPAC Name: 4-methoxy-6-methylpyrimidin-2-amine
• InChIKey: SNWZXTZIZWBIDQ-UHFFFAOYSA-N
• INCHI: 1S/C6H9N3O/c1-4-3-5(10-2)9-6(7)8-4/h3H,1-2H3,(H2,7,8,9)
• Isómeros SMILES: CC1=CC(=NC(=N1)N)OC
• WGK Alemania: 3
• Peso molecular: 139.16
• Beilstein: 121733
• Reaxy-Rn: 121733
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=121733&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: Alkyl aryl ethers Heteroaromatic compounds Azacyclic compounds Primary amines Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aminopyrimidine - Alkyl aryl ether - Heteroaromatic compound - Azacycle - Ether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Amine - 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): 158 °C
• Peso molecular: 139.160 g/mol
• XLogP3: 0.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 139.075 Da
• Monoisotopic Mass: 139.075 Da
• Topological Polar Surface Area: 61.000 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 109.000
• 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