2-Amino-6-bromopyrido[2,3-d]pyrimidin-4(3h)-one - ≥95% , CAS No.120040-42-8

CAS: 120040-42-8 Cat. No.: A180073 Peso molecular: 241

GRADE & PURITY ≥95%

Synonyms

MFCD09910160 | AMY12217 | 2-amino-6-bromo-3H-pyrido[2,3-d]pyrimidin-4-one | 2-Amino-6-bromopyrido[2,3-d]pyrimidin-4-ol | C7H5BrN4O | DTXSID80555927 | FS-2739 | SCHEMBL13916085 | 2-Amino-6-bromopyrido[2,3-d]pyrimidin-4(3H)-one; 2-Amino-6-bromopyrido[2,3-d]

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

MFCD09910160 | AMY12217 | 2-amino-6-bromo-3H-pyrido[2, 3-d]pyrimidin-4-one | 2-Amino-6-bromopyrido[2, 3-d]pyrimidin-4-ol | C7H5BrN4O | DTXSID80555927 | FS-2739 | SCHEMBL13916085 | 2-Amino-6-bromopyrido[2, 3-d]pyrimidin-4(3H)-one; 2-Amino-6-bromopyrido[2, 3-d]

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥95%

Nombres e identificadores

• Sonrisas canónicas: C1=C(C=NC2=C1C(=O)NC(=N2)N)Br
• IUPAC Name: 2-amino-6-bromo-3H-pyrido[2,3-d]pyrimidin-4-one
• InChIKey: NEKHFIILORMMHG-UHFFFAOYSA-N
• INCHI: 1S/C7H5BrN4O/c8-3-1-4-5(10-2-3)11-7(9)12-6(4)13/h1-2H,(H3,9,10,11,12,13)
• Isómeros SMILES: C1=C(C=NC2=C1C(=O)NC(=N2)N)Br
• Peso molecular: 241
• Reaxy-Rn: 5937536
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5937536&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Pyridopyrimidines
• Subclass: Pyrido[2,3-d]pyrimidines
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrido[2,3-d]pyrimidines
• Alternative Parents: Pyrimidones Aminopyrimidines and derivatives Pyridines and derivatives Aryl bromides Vinylogous amides Heteroaromatic compounds Azacyclic compounds Primary amines Organooxygen compounds Organobromides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Pyrido[2,3-d]pyrimidine - Aminopyrimidine - Pyrimidone - Aryl bromide - Aryl halide - Pyridine - Pyrimidine - Heteroaromatic compound - Vinylogous amide - Azacycle - Amine - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as pyrido[2,3-d]pyrimidines. These are compounds containing the pyrido[2,3-d]pyrimidine ring system, which is a pyridopyrimidine isomer with three ring nitrogen atoms at the 1-, 3-, and 8- position.
• 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

• Peso molecular: 241.040 g/mol
• XLogP3: 0.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 239.965 Da
• Monoisotopic Mass: 239.965 Da
• Topological Polar Surface Area: 80.400 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 267.000
• 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