N-[(2-ethoxypyridin-3-yl)methyl]-3,6-dimethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine

• ChemBase ID: 709361
• Molecular Formular: C15H17N5O2
• Molecular Mass: 299.32778
• Monoisotopic Mass: 299.13822481
• SMILES: c12c(c(nc(n1)C)NCc1c(nccc1)OCC)c(no2)C
• Canonical SMILES: CCOc1ncccc1CNc1nc(C)nc2c1c(C)no2
• InChI: InChI=1S/C15H17N5O2/c1-4-21-14-11(6-5-7-16-14)8-17-13-12-9(2)20-22-15(12)19-10(3)18-13/h5-7H,4,8H2,1-3H3,(H,17,18,19)
• InChIKey: JFODDXCYIGCLSG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(2-ethoxypyridin-3-yl)methyl]-3,6-dimethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
• IUPAC Traditional name: N-[(2-ethoxypyridin-3-yl)methyl]-3,6-dimethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
• Synonyms: N-[(2-ethoxypyridin-3-yl)methyl]-3,6-dimethylisoxazolo[5,4-d]pyrimidin-4-amine

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.208546
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 2.1222146
• LogD (pH = 7.4): 2.1229825
• Log P: 2.1229923
• Molar Refractivity: 84.1488 cm^3
• Polarizability: 30.967936 Å^3
• Polar Surface Area: 85.96 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 1.64
• LOG S: -3.64
• Polar Surface Area: 85.96 Å^2
• Rotatable Bonds: 5