Name: 2,5,6-Triaminopyrimidin-4-ol sulphate - ≥95% , CAS No.1603-02-7
Brand: Aladdin Scientific
SKU: T189041
Availability: InStock

Taxonomic Classification

Taxonomy Tree

Kingdom	Organic compounds
Superclass	Organic acids and derivatives
Class	Organic sulfuric acids and derivatives
Subclass	Arylsulfates
Intermediate Tree Nodes	Not available
Direct Parent	Arylsulfates
Alternative Parents	Aminopyrimidines and derivatives Sulfuric acid monoesters Imidolactams Heteroaromatic compounds Azacyclic compounds Primary amines Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Arylsulfate - Aminopyrimidine - Pyrimidine - Sulfuric acid monoester - Sulfate-ester - Sulfuric acid ester - Imidolactam - Heteroaromatic compound - Azacycle - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Amine - Primary amine - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Organopnictogen compound - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as arylsulfates. These are organic compounds containing a sulfate group that carries an aryl group through an ether group.
External Descriptors	Not available
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

3D Structure

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	221.200 g/mol
XLogP3	-1.800
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	2
Exact Mass	221.022 Da
Monoisotopic Mass	221.022 Da
Topological Polar Surface Area	176.000 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	289.000
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

Solution Calculators

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Reviews

Canonical Smiles	C1(=C(N=C(N=C1OS(=O)(=O)O)N)N)N
IUPAC Name	(2,5,6-triaminopyrimidin-4-yl) hydrogen sulfate
InChIKey	DJUGBKWOBAOTFA-UHFFFAOYSA-N
INCHI	1S/C4H7N5O4S/c5-1-2(6)8-4(7)9-3(1)13-14(10,11)12/h5H2,(H,10,11,12)(H4,6,7,8,9)
Isomeric SMILES	C1(=C(N=C(N=C1OS(=O)(=O)O)N)N)N
PubChem CID	74142
Molecular Weight	239.21

2,5,6-Triaminopyrimidin-4-ol sulphate - ≥95% , CAS No.1603-02-7

Specifications