5-Bromo-7-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine - ≥97% , CAS No.1337532-51-0

CAS: 1337532-51-0 Cat. No.: B587008 Peso molecular: 227.06 Número EC: 802-785-2

GRADE & PURITY ≥97%

Synonyms

AMY075 | 5-bromo-7-methylpyrrolo[2,3-d]pyrimidin-4-amine | 5-Bromo-7-methyl-7H-pyrrolo-[2,3-d]pyrimidin-4-amine | 5-Bromo-7-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine | DTXSID10735210 | SB14687 | SCHJLAFNBDGWJN-UHFFFAOYSA-N | SY251297 | MFCD20486185 | 6-Am

Storage

Room temperature

Shipped In

Normal

Descripción general

Application：

It is used in the preparation of indoline derivatives as PERK inhibitors.

Specifications

Sinónimos

AMY075 | 5-bromo-7-methylpyrrolo[2, 3-d]pyrimidin-4-amine | 5-Bromo-7-methyl-7H-pyrrolo-[2, 3-d]pyrimidin-4-amine | 5-Bromo-7-methyl-7H-pyrrolo[2, 3-d]pyrimidin-4-amine | DTXSID10735210 | SB14687 | SCHJLAFNBDGWJN-UHFFFAOYSA-N | SY251297 | MFCD20486185 | 6-Am

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 504771833
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504771833
• Sonrisas canónicas: CN1C=C(C2=C(N=CN=C21)N)Br
• IUPAC Name: 5-bromo-7-methylpyrrolo[2,3-d]pyrimidin-4-amine
• InChIKey: SCHJLAFNBDGWJN-UHFFFAOYSA-N
• INCHI: 1S/C7H7BrN4/c1-12-2-4(8)5-6(9)10-3-11-7(5)12/h2-3H,1H3,(H2,9,10,11)
• Isómeros SMILES: CN1C=C(C2=C(N=CN=C21)N)Br
• WGK Alemania: 3
• Peso molecular: 227.06
• Reaxy-Rn: 21981671
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=21981671&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Pyrrolopyrimidines
      • Subclass Pyrrolo[2,3-d]pyrimidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Pyrrolopyrimidines
• Subclass: Pyrrolo[2,3-d]pyrimidines
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrrolo[2,3-d]pyrimidines
• Alternative Parents: Aminopyrimidines and derivatives N-methylpyrroles Imidolactams Aryl bromides Heteroaromatic compounds Azacyclic compounds Primary amines Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Pyrrolo[2,3-d]pyrimidine - Aminopyrimidine - Aryl bromide - Aryl halide - N-methylpyrrole - Pyrimidine - Substituted pyrrole - Imidolactam - Pyrrole - Heteroaromatic compound - Azacycle - Amine - Primary amine - Organonitrogen compound - Organobromide - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as pyrrolo[2,3-d]pyrimidines. These are aromatic heteropolycyclic compounds containing a pyrrolo[2,3-d]pyrimidine ring system, which is an pyrrolopyrimidine isomers having the 3 ring nitrogen atoms at the 1-, 5-, and 7-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

• Solubilidad: Soluble in dichloromethane.
• Peso molecular: 227.060 g/mol
• XLogP3: 1.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 225.985 Da
• Monoisotopic Mass: 225.985 Da
• Topological Polar Surface Area: 56.700 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 177.000
• 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