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

• ChemBase ID: 393551
• Molecular Formular: C14H18N6O2
• Molecular Mass: 302.33172
• Monoisotopic Mass: 302.14912385
• SMILES: c12c(nc(nc1NC(c1n(ncc1)C)COC)C)oc(n2)C
• Canonical SMILES: COCC(c1ccnn1C)Nc1nc(C)nc2c1nc(o2)C
• InChI: InChI=1S/C14H18N6O2/c1-8-16-13(12-14(17-8)22-9(2)18-12)19-10(7-21-4)11-5-6-15-20(11)3/h5-6,10H,7H2,1-4H3,(H,16,17,19)
• InChIKey: IFDXFEPXVOYTTG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.468939
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 0.6678985
• LogD (pH = 7.4): 0.6680037
• Log P: 0.66800535
• Molar Refractivity: 93.0196 cm^3
• Polarizability: 30.476044 Å^3
• Polar Surface Area: 90.89 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: 0.28
• LOG S: -2.95
• Polar Surface Area: 90.89 Å^2
• Rotatable Bonds: 5