N-[2-methoxy-1-(pyridin-2-yl)ethyl]-N,2-dimethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-amine

• ChemBase ID: 531899
• Molecular Formular: C15H17N5O2
• Molecular Mass: 299.32778
• Monoisotopic Mass: 299.13822481
• SMILES: c12c(N(C(c3ncccc3)COC)C)ncnc2oc(n1)C
• Canonical SMILES: COCC(N(c1ncnc2c1nc(o2)C)C)c1ccccn1
• InChI: InChI=1S/C15H17N5O2/c1-10-19-13-14(17-9-18-15(13)22-10)20(2)12(8-21-3)11-6-4-5-7-16-11/h4-7,9,12H,8H2,1-3H3
• InChIKey: HCZVZJRSMQCJNL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-methoxy-1-(pyridin-2-yl)ethyl]-N,2-dimethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-amine
• IUPAC Traditional name: N-[2-methoxy-1-(pyridin-2-yl)ethyl]-N,2-dimethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-amine
• Synonyms: N-(2-methoxy-1-pyridin-2-ylethyl)-N,2-dimethyl[1,3]oxazolo[5,4-d]pyrimidin-7-amine

CALCULATED PROPERTIES

JChem

• LogD (pH = 7.4): 1.3424759
• Log P: 1.3426366
• Molar Refractivity: 81.2451 cm^3
• Polarizability: 31.054771 Å^3
• Polar Surface Area: 77.17 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true
• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 1.3300637

供应商提供(Chembridge)

• Log P: 0.48
• LOG S: -0.5
• Polar Surface Area: 77.17 Å^2
• Rotatable Bonds: 5
• H Acceptors: 6
• H Donor: 0