6-(2H5)phenylpteridine-2,4,7-triamine

• ChemBase ID: 178879
• Molecular Formular: C12H11N7
• Molecular Mass: 253.26264
• Monoisotopic Mass: 253.10759339
• SMILES: c12c(c(nc(n1)N)N)nc(c(n2)N)c1ccccc1
• Canonical SMILES: Nc1nc(N)c2c(n1)nc(c(n2)c1ccccc1)N
• InChI: InChI=1S/C12H11N7/c13-9-7(6-4-2-1-3-5-6)16-8-10(14)18-12(15)19-11(8)17-9/h1-5H,(H6,13,14,15,17,18,19)
• InChIKey: FNYLWPVRPXGIIP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(^2H₅)phenylpteridine-2,4,7-triamine
• IUPAC Traditional name: 6-(^2H₅)phenylpteridine-2,4,7-triamine
• Synonyms: 6-(Phenyl-d5)-2,4,7-pteridinetriamine; 2,4,7-Triamino-6-(phenyl-d5)pteridine; 6-(Phenyl-d5)-2,4,7-triaminopteridine; Ademin-d5; Ademine-d5; Diren-d5; Ditak-d5; Diurene-d5; NSC 77625-d5; Noridil-d5; Pterofen-d5; Pterophene-d5; Triteren-d5; Urocaudal-d5; Triamterene-d5

Database IDs

• PubChem SID: 164234789
• PubChem CID: 45040581

CALCULATED PROPERTIES

• Acid pKa: 15.8762245
• H Acceptors: 7
• H Donor: 3
• LogD (pH = 5.5): 1.114474
• LogD (pH = 7.4): 1.1145703
• Log P: 1.1145715
• Molar Refractivity: 75.1259 cm^3
• Polarizability: 27.982124 Å^3
• Polar Surface Area: 129.62 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: DMSO; Methanol
• Apperance: Dark Yellow Solid
• Melting Point: >300°C (dec.)

Safety Information

• Storage Condition: -20°C Freezer

DETAILS

Toronto Research Chemicals - T767327

Labelled Triamterene is a weak diuretic with potassium sparing properties; blocks Na+ reuptake in the kidneys.

REFERENCES

• Osdene, et al.: J. Med. Chem., 10, 431 (1967)
• Kapoor, V.K., et al.: Anal. Profiles Drug Subs. Excip., 23, 571 (1967)