2-Methylpyrido[3,4-d]pyrimidin-4(1H)-one - ≥98% , CAS No.22389-85-1

CAS: 22389-85-1 Cat. No.: M588231 Peso molecular: 161.16 Número EC: 860-546-8

GRADE & PURITY ≥98%

Synonyms

DTXSID70544426 | 2-Methylpyrido[3,4-d]pyrimidin-4-ol | 2-methyl-3H,4H-pyrido[3,4-d]pyrimidin-4-one | F8880-8675 | SCHEMBL8279823 | SCHEMBL16908309 | AKOS016012600 | M6N | CCG-321194 | 2-methylpyrido[3,4-d]pyrimidin-4(3H)-one | EN300-113546 | 2-methyl-3~{H

Storage

Store at 2-8°C,Protected from light,Desiccated

Shipped In

Wet ice

Specifications

Sinónimos

DTXSID70544426 | 2-Methylpyrido[3, 4-d]pyrimidin-4-ol | 2-methyl-3H, 4H-pyrido[3, 4-d]pyrimidin-4-one | F8880-8675 | SCHEMBL8279823 | SCHEMBL16908309 | AKOS016012600 | M6N | CCG-321194 | 2-methylpyrido[3, 4-d]pyrimidin-4(3H)-one | EN300-113546 | 2-methyl-3~{H

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Protected from light, Desiccated

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504773407
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504773407
• Sonrisas canónicas: CC1=NC2=C(C=CN=C2)C(=O)N1
• IUPAC Name: 2-methyl-3H-pyrido[3,4-d]pyrimidin-4-one
• InChIKey: ZZGGQKRBGZEHKC-UHFFFAOYSA-N
• INCHI: 1S/C8H7N3O/c1-5-10-7-4-9-3-2-6(7)8(12)11-5/h2-4H,1H3,(H,10,11,12)
• Isómeros SMILES: CC1=NC2=C(C=CN=C2)C(=O)N1
• Peso molecular: 161.16
• Reaxy-Rn: 5578
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5578&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Pyridopyrimidines
      • Subclass Pyrido[3,4-d]pyrimidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Pyridopyrimidines
• Subclass: Pyrido[3,4-d]pyrimidines
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrido[3,4-d]pyrimidines
• Alternative Parents: Pyrimidones Pyridines and derivatives Vinylogous amides Heteroaromatic compounds Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Pyrido[3,4-d]pyrimidine - Pyrimidone - Pyrimidine - Pyridine - Heteroaromatic compound - Vinylogous amide - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as pyrido[3,4-d]pyrimidines. These are compounds containing the pyrido[3,4-d]pyrimidine ring system, which is a pyridopyrimidine isomer with three ring nitrogen atoms at the 1-, 3-, and 7- 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: 161.160 g/mol
• XLogP3: -0.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 161.059 Da
• Monoisotopic Mass: 161.059 Da
• Topological Polar Surface Area: 54.400 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 236.000
• 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