5-Ethylpyrimidin-2-amine - ≥98% , CAS No.39268-71-8

CAS: 39268-71-8 Cat. No.: E193173 Formule: C₆H₉N₃ Poids moléculaire: 123.16 Numéro CE: 999-911-2

GRADE & PURITY ≥98%

Synonyms

SCHEMBL2056395 | DS-1481 | BBL102157 | Z1137168329 | SY107788 | 2-Amino-5-ethylpyrimidine | STL555956 | 5-ETHYL-2-PYRIMIDINAMINE | J-517477 | EN300-7228784 | AB51220 | AKOS012857232 | DTXSID00630861 | A824498 | 5-ethylpyrimidin-2-amine | FT-0648568 | MFCD

Storage

Protected from light,Room temperature,Argon charged

Shipped In

Normal

Specifications

Synonymes

SCHEMBL2056395 | DS-1481 | BBL102157 | Z1137168329 | SY107788 | 2-Amino-5-ethylpyrimidine | STL555956 | 5-ETHYL-2-PYRIMIDINAMINE | J-517477 | EN300-7228784 | AB51220 | AKOS012857232 | DTXSID00630861 | A824498 | 5-ethylpyrimidin-2-amine | FT-0648568 | MFCD

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Protected from light,Room temperature,Argon charged

Expédié en

Normal

Pureté

≥98%

Noms et identifiants

Sourires canoniques

CCC1=CN=C(N=C1)N

IUPAC Name

5-ethylpyrimidin-2-amine

InChIKey

YCHYGGNTIXJETG-UHFFFAOYSA-N

INCHI

1S/C6H9N3/c1-2-5-3-8-6(7)9-4-5/h3-4H,2H2,1H3,(H2,7,8,9)

Isomères SMILES

CCC1=CN=C(N=C1)N

Poids moléculaire

123.16

Reaxy-Rn

115223

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=115223&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Diazines
      • Subclass Pyrimidines and pyrimidine derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Diazines
• Subclass: Pyrimidines and pyrimidine derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Aminopyrimidines and derivatives
• Alternative Parents: Heteroaromatic compounds Azacyclic compounds Primary amines Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aminopyrimidine - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Amine - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as aminopyrimidines and derivatives. These are organic compounds containing an amino group attached to a pyrimidine ring. 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

Propriétés chimiques et physiques

• Poids moléculaire: 123.160 g/mol
• XLogP3: 0.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 123.08 Da
• Monoisotopic Mass: 123.08 Da
• Topological Polar Surface Area: 51.800 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 76.400
• 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