N-(2,3-dihydro-1-benzofuran-3-yl)-2-methyl-[1,3]oxazolo[5,4-d]pyrimidin-7-amine

• ChemBase ID: 615735
• Molecular Formular: C14H12N4O2
• Molecular Mass: 268.27068
• Monoisotopic Mass: 268.09602564
• SMILES: c12nc(oc1ncnc2NC1c2c(OC1)cccc2)C
• Canonical SMILES: Cc1oc2c(n1)c(ncn2)NC1COc2c1cccc2
• InChI: InChI=1S/C14H12N4O2/c1-8-17-12-13(15-7-16-14(12)20-8)18-10-6-19-11-5-3-2-4-9(10)11/h2-5,7,10H,6H2,1H3,(H,15,16,18)
• InChIKey: QYGOBTPYOLDYKQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2,3-dihydro-1-benzofuran-3-yl)-2-methyl-[1,3]oxazolo[5,4-d]pyrimidin-7-amine
• IUPAC Traditional name: N-(2,3-dihydro-1-benzofuran-3-yl)-2-methyl-[1,3]oxazolo[5,4-d]pyrimidin-7-amine
• Synonyms: N-(2,3-dihydro-1-benzofuran-3-yl)-2-methyl[1,3]oxazolo[5,4-d]pyrimidin-7-amine

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.686922
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.4089253
• LogD (pH = 7.4): 1.4091582
• Log P: 1.4091614
• Molar Refractivity: 73.065 cm^3
• Polarizability: 27.522017 Å^3
• Polar Surface Area: 73.07 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 1.28
• LOG S: -3.0
• Polar Surface Area: 73.07 Å^2
• Rotatable Bonds: 2