3-Amino-2-methyl-4(3H)quinazolinone - ≥98% , CAS No.1898-06-2

CAS: 1898-06-2 Cat. No.: A168198 Peso molecular: 175.19 Número EC: 624-564-8

GRADE & PURITY ≥98%

Synonyms

3-Amino-2-methyl-4-quinazolone | 4-amino-2chloro-6,7-dimethoxy quinazoline | HMS2185L07 | STK280514 | MFCD00114253 | NSC159457 | SMR000066383 | J-012250 | 2-Methyl-3-amino-4-quinazolone | Opera_ID_585 | SR-01000388914-2 | 3-Amino-2-methyl-3H-quinazolin-4-

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

3-Amino-2-methyl-4-quinazolone | 4-amino-2chloro-6, 7-dimethoxy quinazoline | HMS2185L07 | STK280514 | MFCD00114253 | NSC159457 | SMR000066383 | J-012250 | 2-Methyl-3-amino-4-quinazolone | Opera_ID_585 | SR-01000388914-2 | 3-Amino-2-methyl-3H-quinazolin-4-

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488188900
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488188900
• Sonrisas canónicas: CC1=NC2=CC=CC=C2C(=O)N1N
• IUPAC Name: 3-amino-2-methylquinazolin-4-one
• InChIKey: IQOUPYQSZBDNAW-UHFFFAOYSA-N
• INCHI: 1S/C9H9N3O/c1-6-11-8-5-3-2-4-7(8)9(13)12(6)10/h2-5H,10H2,1H3
• Isómeros SMILES: CC1=NC2=CC=CC=C2C(=O)N1N
• WGK Alemania: 3
• Peso molecular: 175.19
• Reaxy-Rn: 140833
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=140833&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Diazanaphthalenes
      • Subclass Benzodiazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Diazanaphthalenes
• Subclass: Benzodiazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Quinazolines
• Alternative Parents: Pyrimidones Benzenoids Heteroaromatic compounds Lactams Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Quinazoline - Pyrimidone - Benzenoid - Pyrimidine - Heteroaromatic compound - Lactam - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as quinazolines. These are compounds containing a quinazoline moiety, which is made up of two fused six-member aromatic rings, a benzene ring and 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

Objetivos asociados (no humanos)

npr Thermolysin (425 Activities)

Discover Target: npr

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de acción

Propiedades químicas y físicas

• Punto de fusión (°C): 149- 152°C
• Peso molecular: 175.190 g/mol
• XLogP3: 0.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 175.075 Da
• Monoisotopic Mass: 175.075 Da
• Topological Polar Surface Area: 58.700 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 262.000
• 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