2-methyl-N-[1-(2-propoxyphenyl)ethyl]-[1,3]oxazolo[5,4-d]pyrimidin-7-amine

• ChemBase ID: 448796
• Molecular Formular: C17H20N4O2
• Molecular Mass: 312.3663
• Monoisotopic Mass: 312.1586259
• SMILES: c12nc(oc1ncnc2NC(c1c(OCCC)cccc1)C)C
• Canonical SMILES: CCCOc1ccccc1C(Nc1ncnc2c1nc(o2)C)C
• InChI: InChI=1S/C17H20N4O2/c1-4-9-22-14-8-6-5-7-13(14)11(2)20-16-15-17(19-10-18-16)23-12(3)21-15/h5-8,10-11H,4,9H2,1-3H3,(H,18,19,20)
• InChIKey: OKEDRTMPXQDSRJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.678662
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 2.8165798
• LogD (pH = 7.4): 2.8168216
• Log P: 2.8168247
• Molar Refractivity: 89.0552 cm^3
• Polarizability: 33.760696 Å^3
• Polar Surface Area: 73.07 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 3.28
• LOG S: -4.28
• Polar Surface Area: 73.07 Å^2
• Rotatable Bonds: 6