5-[(2,4-Diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenol

Base Information

• Chemical Name: 5-[(2,4-Diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenol
• CAS No.: 27653-69-6
• Molecular Formula: C13H16N4O3
• Molecular Weight: 276.29100
• UNII: RY09Z6E3O8
• DSSTox Substance ID: DTXSID10511435
• Nikkaji Number: J516.947J
• Wikidata: Q82370220
• Mol file: 27653-69-6.mol

Synonyms:27653-69-6;3'-Hydroxytrimethoprim;3-Demethyltrimethoprim;3-Demethyl-trimethoprim;RY09Z6E3O8;5-[(2,4-Diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenol;Phenol, 5-[(2,4-diamino-5-pyrimidinyl)methyl]-2,3-dimethoxy-;UNII-RY09Z6E3O8;2,4-diamino-5-(3-hydroxy-4,5-dimethoxybenzyl)pyrimidine;5-((2,4-Diamino-5-pyrimidinyl)methyl)-2,3-dimethoxyphenol;Phenol, 5-((2,4-diamino-5-pyrimidinyl)methyl)-2,3-dimethoxy-;5-((2,4-Diaminopyrimidin-5-yl)methyl)-2,3-dimethoxyphenol;HWBPOLWLLFXEJY-UHFFFAOYSA-N;3-Desmethyltrimethoprim;SCHEMBL5657770;DTXSID10511435;CHEBI:186190;AKOS030254951;NS00002074;2,4-diamino-5-(3-hydroxy-4,5-dimethoxy-benzyl)pyrimidine;5-[(2, 4-diaminopyrimidin-5-yl)methyl]-2, 3-dimethoxyphenol

Chemical Property of 5-[(2,4-Diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenol

Chemical Property:

• Melting Point: >208°C (dec.)
• Boiling Point: 572.2±60.0 °C(Predicted)
• PSA: 117.97000
• Density: 1.339±0.06 g/cm3(Predicted)
• LogP: 0.81480
• XLogP3: 0
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 4
• Exact Mass: 276.12224039
• Heavy Atom Count: 20
• Complexity: 307

Purity/Quality:

3-DesmethylTrimethoprim ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC(=CC(=C1OC)O)CC2=CN=C(N=C2N)N
• Uses: 3-Desmethyl Trimethoprim is a metabolite of Trimethoprim (T795615); an antibacterial agent that is commonly prescribed in conjunction with Sulfametoxazole (S699086) to treat patients afflicted with urinary tract infections. 3-Desmethyl Trimethoprim gets excreted in the urine of rats, dogs, and man in the form of glucuronides.