4-amino-2-methoxypyrimidine-5-carbaldehyde - ≥97% , CAS No.26664-09-5

CAS: 26664-09-5 Cat. No.: A633291 Molecular Weight: 153.14 PubChem CID: 15356134

GRADE & PURITY ≥97%

Synonyms

4-AMINO-2-METHOXY-5-PYRIMIDINECARBOXALDEHYDE | AS-38386 | SY258314 | 5-Pyrimidinecarboxaldehyde, 4-amino-2-methoxy- | MFCD07780787 | RFFAVLVDZBFXHO-UHFFFAOYSA-N | AKOS006287346 | BBA66409 | FT-0715240 | DTXSID40571926 | A877166 | 4-Amino-2-methoxy-pyrimid

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

4-AMINO-2-METHOXY-5-PYRIMIDINECARBOXALDEHYDE | AS-38386 | SY258314 | 5-Pyrimidinecarboxaldehyde, 4-amino-2-methoxy- | MFCD07780787 | RFFAVLVDZBFXHO-UHFFFAOYSA-N | AKOS006287346 | BBA66409 | FT-0715240 | DTXSID40571926 | A877166 | 4-Amino-2-methoxy-pyrimid

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Canonical Smiles: COC1=NC=C(C(=N1)N)C=O
• IUPAC Name: 4-amino-2-methoxypyrimidine-5-carbaldehyde
• InChIKey: RFFAVLVDZBFXHO-UHFFFAOYSA-N
• INCHI: 1S/C6H7N3O2/c1-11-6-8-2-4(3-10)5(7)9-6/h2-3H,1H3,(H2,7,8,9)
• Isomeric SMILES: COC1=NC=C(C(=N1)N)C=O
• Alternate CAS: 26664-09-5
• PubChem CID: 15356134
• Molecular Weight: 153.14

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Diazines
• Subclass: Pyrimidines and pyrimidine derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Aminopyrimidines and derivatives
• Alternative Parents: Aryl-aldehydes Alkyl aryl ethers Imidolactams Vinylogous amides Heteroaromatic compounds Azacyclic compounds Primary amines Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Alkyl aryl ether - Aminopyrimidine - Aryl-aldehyde - Imidolactam - Vinylogous amide - Heteroaromatic compound - Ether - Azacycle - Aldehyde - Hydrocarbon derivative - Organic oxide - Primary amine - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Amine - Organic nitrogen compound - 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

Chemical and Physical Properties

• Molecular Weight: 153.140 g/mol
• XLogP3: 0.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 153.054 Da
• Monoisotopic Mass: 153.054 Da
• Topological Polar Surface Area: 78.100 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 142.000
• 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