2-Morfolinopirimidin-4-ol - ≥97% , CAS No.19810-79-8

CAS: 19810-79-8 Cat. No.: M191878 Fórmula: C₈H₁₁N₃O₂ Peso molecular: 181.19

CALIDAD & PUREZA ≥97%

Synonyms

AKOS015855935 | 2-Morpholino-4(3H)-pyrimidinone | SCHEMBL497431 | 2-(N-morpholino)-4-hydroxypyrimidine | 2-MORPHOLINOPYRIMIDIN-4(3H)-ONE | 2-morpholinopyrimidin-4-ol | 2-(morpholin-4-yl)pyrimidin-4-ol | SY104881 | A880001 | KWNBVCKOPJXOIC-UHFFFAOYSA-N | A

Storage

Room temperature

Shipped In

Normal

Especificaciones

Sinónimos

AKOS015855935 | 2-Morpholino-4(3H)-pyrimidinone | SCHEMBL497431 | 2-(N-morpholino)-4-hydroxypyrimidine | 2-MORPHOLINOPYRIMIDIN-4(3H)-ONE | 2-morpholinopyrimidin-4-ol | 2-(morpholin-4-yl)pyrimidin-4-ol | SY104881 | A880001 | KWNBVCKOPJXOIC-UHFFFAOYSA-N | A

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

Sonrisas canónicas

C1COCCN1C2=NC=CC(=O)N2

IUPAC Name

2-morpholin-4-yl-1H-pyrimidin-6-one

InChIKey

KWNBVCKOPJXOIC-UHFFFAOYSA-N

INCHI

1S/C8H11N3O2/c12-7-1-2-9-8(10-7)11-3-5-13-6-4-11/h1-2H,3-6H2,(H,9,10,12)

Isómeros SMILES

C1COCCN1C2=NC=CC(=O)N2

Peso molecular

181.19

Reaxy-Rn

1573114

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1573114&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Clase Organonitrogen compounds
      • Subclass Amines
        • Level5 Tertiary amines
          • Level6 Tertiary alkylarylamines
            • Level7 Dialkylarylamines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Clase: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Tertiary amines - Tertiary alkylarylamines
• Direct Parent: Dialkylarylamines
• Alternative Parents: Pyrimidones Aminopyrimidines and derivatives Morpholines Hydropyrimidines Heteroaromatic compounds Lactams Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Dialkylarylamine - Aminopyrimidine - Pyrimidone - Hydropyrimidine - Morpholine - Oxazinane - Pyrimidine - Heteroaromatic compound - Lactam - Organoheterocyclic compound - Oxacycle - Ether - Dialkyl ether - Azacycle - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organic oxide - Organopnictogen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as dialkylarylamines. These are aliphatic aromatic amines in which the amino group is linked to two aliphatic chains and one aromatic 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

• Peso molecular: 181.190 g/mol
• XLogP3: -1.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 181.085 Da
• Monoisotopic Mass: 181.085 Da
• Topological Polar Surface Area: 53.900 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 267.000
• 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