2,4-Diamino-6-(hydroxymethyl)pteridine hydrochloride - ≥95% , CAS No.73978-41-3

CAS: 73978-41-3 Cat. No.: D123281 Molecular Weight: 228.64 EC Number: 700-274-8

GRADE & PURITY ≥95%

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

Storage

Room temperature

Shipped In

Normal

Overview

Reactant involved in the synthesis of prodrugs

Specifications

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%

Storage

Room temperature

Shipped In

Normal

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 504760944
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504760944
• Canonical Smiles: C1=C(N=C2C(=NC(=NC2=N1)N)N)CO.Cl
• IUPAC Name: (2,4-diaminopteridin-6-yl)methanol;hydrochloride
• InChIKey: XZHMPUJCSYVIQL-UHFFFAOYSA-N
• 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
• 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=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Pteridines and derivatives

• 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.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Melt Point(°C): 220°C
• Molecular Weight: 228.640 g/mol
• 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

XLogP3