5,6,7,8-tetrahydropteridine

• ChemBase ID: 248266
• Molecular Formular: C6H8N4
• Molecular Mass: 136.15452
• Monoisotopic Mass: 136.07489628
• SMILES: c12c(NCCN2)cncn1
• Canonical SMILES: C1CNc2c(N1)ncnc2
• InChI: InChI=1S/C6H8N4/c1-2-9-6-5(8-1)3-7-4-10-6/h3-4,8H,1-2H2,(H,7,9,10)
• InChIKey: IDAICLIJTRXNER-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5,6,7,8-tetrahydropteridine
• IUPAC Traditional name: 5,6,7,8-tetrahydropteridine
• Synonyms: 5,6,7,8-tetrahydropteridine

Database IDs

• MDL Number: MFCD01741597
• PubChem SID: 164304176
• PubChem CID: 156

CALCULATED PROPERTIES

• Acid pKa: 19.350342
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.8339156
• LogD (pH = 7.4): -0.5861746
• Log P: -0.5817757
• Molar Refractivity: 41.4544 cm^3
• Polarizability: 13.787353 Å^3
• Polar Surface Area: 49.84 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.226

Product Information

• Purity: 95%