5-Benzyloxy-2-(1-piperazinyl)pyrimidine - ≥95% , CAS No.87789-61-5

CAS: 87789-61-5 Cat. No.: B352315 Peso molecular: 270.33

GRADE & PURITY ≥95%

Synonyms

AKOS016000805 | Maybridge2_000099 | FT-0663009 | NGCDQKNRWBVNTI-UHFFFAOYSA-N | SCHEMBL8106889 | 5-phenylmethoxy-2-piperazin-1-ylpyrimidine | 5-(benzyloxy)-2-piperazinopyrimidine | IDI1_001139 | 5-Phenylmethoxy-2-(1-piperazinyl)pyrimidine | HMS1303E11 | 5-

Storage

Store at 2-8°C

Shipped In

Wet ice

Descripción general

5-Benzyloxy-2-(1-piperazinyl)pyrimidine is an intermediate used in the preparation of CNS agents.

Specifications

Sinónimos

AKOS016000805 | Maybridge2_000099 | FT-0663009 | NGCDQKNRWBVNTI-UHFFFAOYSA-N | SCHEMBL8106889 | 5-phenylmethoxy-2-piperazin-1-ylpyrimidine | 5-(benzyloxy)-2-piperazinopyrimidine | IDI1_001139 | 5-Phenylmethoxy-2-(1-piperazinyl)pyrimidine | HMS1303E11 | 5-

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

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

Pureza

≥95%

Nombres e identificadores

• Pubchem Sid: 504762197
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504762197
• Sonrisas canónicas: C1CN(CCN1)C2=NC=C(C=N2)OCC3=CC=CC=C3
• IUPAC Name: 5-phenylmethoxy-2-piperazin-1-ylpyrimidine
• InChIKey: NGCDQKNRWBVNTI-UHFFFAOYSA-N
• INCHI: 1S/C15H18N4O/c1-2-4-13(5-3-1)12-20-14-10-17-15(18-11-14)19-8-6-16-7-9-19/h1-5,10-11,16H,6-9,12H2
• Isómeros SMILES: C1CN(CCN1)C2=NC=C(C=N2)OCC3=CC=CC=C3
• Peso molecular: 270.33
• Reaxy-Rn: 5347133
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5347133&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Diazinanes
      • Subclass Piperazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Diazinanes
• Subclass: Piperazines
• Intermediate Tree Nodes: Not available
• Direct Parent: N-arylpiperazines
• Alternative Parents: Dialkylarylamines Aminopyrimidines and derivatives Alkyl aryl ethers Benzene and substituted derivatives Heteroaromatic compounds Dialkylamines Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: N-arylpiperazine - Dialkylarylamine - Alkyl aryl ether - Aminopyrimidine - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Heteroaromatic compound - Secondary aliphatic amine - Ether - Secondary amine - Azacycle - Organonitrogen compound - Amine - Organic nitrogen compound - Organopnictogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as n-arylpiperazines. These are organic compounds containing a piperazine ring where the nitrogen ring atom carries an aryl group.
• 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): 94-97°C
• Peso molecular: 270.330 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 270.148 Da
• Monoisotopic Mass: 270.148 Da
• Topological Polar Surface Area: 50.300 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 269.000
• 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