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2,4-Diamino-6-(hydroxymethyl)pteridine hydrochloride - 95%, high purity , CAS No.73978-41-3
Basic Description
Synonyms
(2,4-Diaminopteridin-6-yl)methanolhydrochloridehydrate | BCP09302 | MFCD00191246 | SY063959 | 2,4-Diamino-6-(hydroxymethyl)pteridine HCl | (2,4-diaminopteridin-6-yl)methanol Hydrochloride | W-200498 | (2,4-Diamino-6-pteridinyl)methanol hydrochloride | 2,4
Specifications & Purity
≥95%
Shipped In
Normal
Product Description
Reactant involved in the synthesis of prodrugs
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pteridines and derivatives
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Pteridines and derivatives
Alternative Parents
Aminopyrimidines and derivatives Pyrazines Imidolactams Heteroaromatic compounds Azacyclic compounds Primary amines Primary alcohols Organopnictogen compounds Hydrochlorides Hydrocarbon derivatives Aromatic alcohols
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pteridine - Aminopyrimidine - Pyrazine - Pyrimidine - Imidolactam - Heteroaromatic compound - Azacycle - Hydrochloride - Alcohol - Aromatic alcohol - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Primary amine - Primary alcohol - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Amine - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as pteridines and derivatives. These are polycyclic aromatic compounds containing a pteridine moiety, which consists of a pyrimidine fused to a pyrazine ring to form pyrimido(4,5-b)pyrazine.
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.
Names and Identifiers
Pubchem Sid
504760944
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504760944
IUPAC Name
(2,4-diaminopteridin-6-yl)methanol;hydrochloride
INCHI
InChI=1S/C7H8N6O.ClH/c8-5-4-6(13-7(9)12-5)10-1-3(2-14)11-4;/h1,14H,2H2,(H4,8,9,10,12,13);1H
InChIKey
XZHMPUJCSYVIQL-UHFFFAOYSA-N
Smiles
C1=C(N=C2C(=NC(=NC2=N1)N)N)CO.Cl
Isomeric SMILES
C1=C(N=C2C(=NC(=NC2=N1)N)N)CO.Cl
WGK Germany
3
Molecular Weight
228.64
Reaxy-Rn
5651057
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5651057&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Melt Point(°C)
220°C
Molecular Weight
228.640 g/mol
XLogP3
Hydrogen Bond Donor Count
4
Hydrogen Bond Acceptor Count
7
Rotatable Bond Count
1
Exact Mass
228.053 Da
Monoisotopic Mass
228.053 Da
Topological Polar Surface Area
124.000 Ų
Heavy Atom Count
15
Formal Charge
0
Complexity
203.000
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
2
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F2317959