Ethyl 2-aminopyrazolo[1,5-a]pyrimidine-3-carboxylate - ≥97% , CAS No.1260169-02-5

CAS: 1260169-02-5 Cat. No.: E627886 Molecular Weight: 206.2 PubChem CID: 66850701

GRADE & PURITY ≥97%

Synonyms

DS-5415 | EN300-5357127 | ethyl2-aminopyrazolo[1,5-a]pyrimidine-3-carboxylate | DTXSID10735891 | FKBUOZSNISVNHI-UHFFFAOYSA-N | 2-AMINO-PYRAZOLO[1,5-A]PYRIMIDINE-3-CARBOXYLIC ACID ETHYL ESTER | AMY26508 | Pyrazolo[1,5-a]pyrimidine-3-carboxylic acid, 2-amin

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

DS-5415 | EN300-5357127 | ethyl2-aminopyrazolo[1, 5-a]pyrimidine-3-carboxylate | DTXSID10735891 | FKBUOZSNISVNHI-UHFFFAOYSA-N | 2-AMINO-PYRAZOLO[1, 5-A]PYRIMIDINE-3-CARBOXYLIC ACID ETHYL ESTER | AMY26508 | Pyrazolo[1, 5-a]pyrimidine-3-carboxylic acid, 2-amin

Specifications & Purity

≥97%

Storage

Store at 2-8°C, Protected from light, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%

Names and Identifiers

• Canonical Smiles: CCOC(=O)C1=C2N=CC=CN2N=C1N
• IUPAC Name: ethyl 2-aminopyrazolo[1,5-a]pyrimidine-3-carboxylate
• InChIKey: FKBUOZSNISVNHI-UHFFFAOYSA-N
• INCHI: 1S/C9H10N4O2/c1-2-15-9(14)6-7(10)12-13-5-3-4-11-8(6)13/h3-5H,2H2,1H3,(H2,10,12)
• Isomeric SMILES: CCOC(=O)C1=C2N=CC=CN2N=C1N
• Alternate CAS: 1260169-02-5
• PubChem CID: 66850701
• Molecular Weight: 206.2

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Pyrazolopyrimidines
      • Subclass Pyrazolo[1,5-a]pyrimidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyrazolopyrimidines
• Subclass: Pyrazolo[1,5-a]pyrimidines
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrazolo[1,5-a]pyrimidines
• Alternative Parents: Pyrazole carboxylic acids and derivatives Pyrimidines and pyrimidine derivatives Imidolactams Vinylogous amides Heteroaromatic compounds Carboxylic acid esters Amino acids and derivatives Azacyclic compounds Primary amines Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Pyrazolo[1,5-a]pyrimidine - Pyrazole-4-carboxylic acid or derivatives - Pyrimidine - Imidolactam - Azole - Pyrazole - Vinylogous amide - Heteroaromatic compound - Amino acid or derivatives - Carboxylic acid ester - Carboxylic acid derivative - Azacycle - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Primary amine - Organooxygen compound - Organonitrogen compound - Amine - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as pyrazolo[1,5-a]pyrimidines. These are aromatic heterocyclic compounds containing a pyrazolo[3,4-d]pyrimidine ring system, which consists of a pyrazole ring fused to and sharing exactly one nitrogen atom with a pyrimidine ring.
• 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

Chemical and Physical Properties

• Molecular Weight: 206.200 g/mol
• XLogP3: 0.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 206.08 Da
• Monoisotopic Mass: 206.08 Da
• Topological Polar Surface Area: 82.500 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 248.000
• 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