furo[2,3-d]pyrimidin-4-amine

• ChemBase ID: 288846
• Molecular Formular: C6H5N3O
• Molecular Mass: 135.1234
• Monoisotopic Mass: 135.0432618
• SMILES: Nc1c2c(occ2)ncn1
• Canonical SMILES: Nc1ncnc2c1cco2
• InChI: InChI=1S/C6H5N3O/c7-5-4-1-2-10-6(4)9-3-8-5/h1-3H,(H2,7,8,9)
• InChIKey: JPIPZNJBXFDXHH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: furo[2,3-d]pyrimidin-4-amine
• IUPAC Traditional name: furo[2,3-d]pyrimidin-4-amine
• Synonyms: Furo[2,3-d]pyrimidin-4-amine

Database IDs

• CAS Number: 186454-70-6
• PubChem SID: 180674377
• PubChem CID: 9898839

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.3413171
• LogD (pH = 7.4): 0.34184575
• Log P: 0.3418525
• Molar Refractivity: 36.5299 cm^3
• Polarizability: 13.413565 Å^3
• Polar Surface Area: 64.94 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%