6-Aminouracil - ≥98% , CAS No.873-83-6

CAS: 873-83-6 Cat. No.: A107382 Molecular Weight: 127.1 Beilstein Registry Number: 120491 EC Number: 212-854-3

GRADE & PURITY ≥98%

Synonyms

6-Amino-1H-pyrimidine-2,4-dione | FT-0660294 | EINECS 212-854-3 | 6-Aminouracil, 97% | EN300-21407 | NSC 15919 | 6UA | AI3-17659 | PS-4527 | SB55545 | 4(1H)-Pyrimidinone, 6-amino-2-hydroxy- (9CI) | F3318-0152 | NSC7367 | NSC-7367 | 6-aminopyrimidine-2,4(1

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

6-Amino-1H-pyrimidine-2, 4-dione | FT-0660294 | EINECS 212-854-3 | 6-Aminouracil, 97% | EN300-21407 | NSC 15919 | 6UA | AI3-17659 | PS-4527 | SB55545 | 4(1H)-Pyrimidinone, 6-amino-2-hydroxy- (9CI) | F3318-0152 | NSC7367 | NSC-7367 | 6-aminopyrimidine-2, 4(1

Specifications & Purity

≥98%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488184479
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488184479
• Canonical Smiles: C1=C(NC(=O)NC1=O)N
• IUPAC Name: 6-amino-1H-pyrimidine-2,4-dione
• InChIKey: LNDZXOWGUAIUBG-UHFFFAOYSA-N
• INCHI: 1S/C4H5N3O2/c5-2-1-3(8)7-4(9)6-2/h1H,(H4,5,6,7,8,9)
• Isomeric SMILES: C1=C(NC(=O)NC1=O)N
• WGK Germany: 3
• RTECS: YQ8750000
• Molecular Weight: 127.1
• Beilstein: 120491
• Reaxy-Rn: 120491
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=120491&ln=

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: Pyrimidones
• Alternative Parents: Aminopyrimidines and derivatives Hydropyrimidines Vinylogous amides Heteroaromatic compounds Ureas Lactams Azacyclic compounds Primary amines Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aminopyrimidine - Pyrimidone - Hydropyrimidine - Vinylogous amide - Heteroaromatic compound - Lactam - Urea - Azacycle - Organic oxide - Organic nitrogen compound - Organopnictogen compound - Primary amine - Organooxygen compound - Organonitrogen compound - Amine - Organic oxygen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as pyrimidones. These are compounds that contain a pyrimidine ring, which bears a ketone. 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

Associated Targets(non-human)

deoA Thymidine phosphorylase (531 Activities)

Discover Target: deoA

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in water
• Sensitivity: air sensitive
• Melt Point(°C): >300°C
• Molecular Weight: 127.100 g/mol
• XLogP3: -1.600
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 127.038 Da
• Monoisotopic Mass: 127.038 Da
• Topological Polar Surface Area: 84.200 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 196.000
• 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

References

1. Peini Zhao, Jingcheng Hao.  (2014)  2,6-Diaminopyridine-imprinted polymer and its potency to hair-dye assay using graphene/ionic liquid electrochemical sensor.  BIOSENSORS & BIOELECTRONICS,      [PMID:25441409] [10.1016/j.bios.2014.09.016]