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6-Aminouracil - 98%, high purity , CAS No.873-83-6
Basic Description
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 Temp
Argon charged
Shipped In
Normal
Taxonomic Classification
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.
Associated Targets(non-human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
Pubchem Sid
488184479
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/488184479
IUPAC Name
6-amino-1H-pyrimidine-2,4-dione
INCHI
InChI=1S/C4H5N3O2/c5-2-1-3(8)7-4(9)6-2/h1H,(H4,5,6,7,8,9)
InChIKey
LNDZXOWGUAIUBG-UHFFFAOYSA-N
Smiles
C1=C(NC(=O)NC1=O)N
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=
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
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
Citations of This Product
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