2,4-dichloro-5H,6H,7H,8H-pyrido[3,4-d]pyrimidine hydrochloride - ≥97% , CAS No.1187830-76-7

CAS: 1187830-76-7 Cat. No.: D172385 Peso molecular: 240.51 Número EC: 195-228-1 PubChem CID: 45789964

GRADE & PURITY ≥97%

Synonyms

2,4-dichloro-5H,6H,7H,8H-pyrido[3,4-d]pyrimidine hydrochloride | SY258169 | Z1269131414 | SB22009 | SC3141 | 2,4-DICHLORO-5,6,7,8-TETRAHYDROPYRIDO[3,4-D]PYRIMIDINE HCL | 2,4-Dichloro-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine hydrochloride | 2,4-Dichloro-5

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

2, 4-dichloro-5H, 6H, 7H, 8H-pyrido[3, 4-d]pyrimidine hydrochloride | SY258169 | Z1269131414 | SB22009 | SC3141 | 2, 4-DICHLORO-5, 6, 7, 8-TETRAHYDROPYRIDO[3, 4-D]PYRIMIDINE HCL | 2, 4-Dichloro-5, 6, 7, 8-tetrahydropyrido[3, 4-d]pyrimidine hydrochloride | 2, 4-Dichloro-5

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: C1CNCC2=C1C(=NC(=N2)Cl)Cl.Cl
• IUPAC Name: 2,4-dichloro-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;hydrochloride
• InChIKey: WKHCVPUVLRBFNT-UHFFFAOYSA-N
• INCHI: 1S/C7H7Cl2N3.ClH/c8-6-4-1-2-10-3-5(4)11-7(9)12-6;/h10H,1-3H2;1H
• Isómeros SMILES: C1CNCC2=C1C(=NC(=N2)Cl)Cl.Cl
• PubChem CID: 45789964
• Peso molecular: 240.51

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Pyridopyrimidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Pyridopyrimidines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridopyrimidines
• Alternative Parents: Aralkylamines 2-halopyrimidines Aryl chlorides Heteroaromatic compounds Dialkylamines Azacyclic compounds Organochlorides Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Pyridopyrimidine - 2-halopyrimidine - Halopyrimidine - Aralkylamine - Aryl chloride - Aryl halide - Pyrimidine - Heteroaromatic compound - Secondary aliphatic amine - Azacycle - Secondary amine - Organochloride - Organohalogen compound - Amine - Hydrocarbon derivative - Organonitrogen compound - Hydrochloride - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as pyridopyrimidines. These are compounds containing a pyridopyrimidine, which consists of a pyridine fused to a pyrimidine. Pyridine is 6-membered ring consisting of five carbon atoms and a nitrogen atom. 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

• Peso molecular: 240.500 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 238.978 Da
• Monoisotopic Mass: 238.978 Da
• Topological Polar Surface Area: 37.800 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 167.000
• 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: 2

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