pyrimidine-4-carboxamide - ≥97% , CAS No.28648-86-4

CAS: 28648-86-4 Cat. No.: P633523 Formula: C₅H₅N₃O Peso molecolare: 123.11 Numero EC: 819-068-5 PubChem CID: 17861762

GRADE & PURITY ≥97%

Synonyms

DTXSID90591356 | SB57438 | AKOS006339217 | C74468 | SCHEMBL220487 | TS-01627 | EN300-1448578 | pyrimidine-6-carboxamide | J-524146 | 4-PYRIMIDINECARBOXAMIDE | MFCD17013173 | A819520 | pyrimidine-4-carboxamide | Z1203579432 | HKSQZEGSMBFHGC-UHFFFAOYSA-N

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

DTXSID90591356 | SB57438 | AKOS006339217 | C74468 | SCHEMBL220487 | TS-01627 | EN300-1448578 | pyrimidine-6-carboxamide | J-524146 | 4-PYRIMIDINECARBOXAMIDE | MFCD17013173 | A819520 | pyrimidine-4-carboxamide | Z1203579432 | HKSQZEGSMBFHGC-UHFFFAOYSA-N

Specifiche e purezza

≥97%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥97%

Nomi e identificatori

Sorrisi canonici

C1=CN=CN=C1C(=O)N

IUPAC Name

pyrimidine-4-carboxamide

InChIKey

HKSQZEGSMBFHGC-UHFFFAOYSA-N

INCHI

1S/C5H5N3O/c6-5(9)4-1-2-7-3-8-4/h1-3H,(H2,6,9)

Isomeri SMILES

C1=CN=CN=C1C(=O)N

CAS alternativo

28648-86-4

PubChem CID

17861762

Peso molecolare

123.11

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Diazines
      • Subclass Pyrimidines and pyrimidine derivatives
        • Level5 Pyrimidinecarboxylic acids and derivatives
          • Level6 Pyrimidinecarboxamides

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Diazines
• Subclass: Pyrimidines and pyrimidine derivatives
• Intermediate Tree Nodes: Pyrimidinecarboxylic acids and derivatives
• Direct Parent: Pyrimidinecarboxamides
• Alternative Parents: 2-heteroaryl carboxamides Heteroaromatic compounds Primary carboxylic acid amides Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyrimidinecarboxamide - 2-heteroaryl carboxamide - Heteroaromatic compound - Primary carboxylic acid amide - Carboxamide group - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as pyrimidinecarboxamides. These are compounds containing a pyrimidine ring which bears a carboxamide.
• 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

Proprietà chimiche e fisiche

• Peso molecolare: 123.110 g/mol
• XLogP3: -0.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 123.043 Da
• Monoisotopic Mass: 123.043 Da
• Topological Polar Surface Area: 68.900 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 115.000
• 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

Domande frequenti

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 28648-86-4, the molecular formula is C5H5N3O, and the molecular weight is 123.11 g/mol. InChIKey HKSQZEGSMBFHGC-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.