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

• ChemBase ID: 387152
• Molecular Formular: C14H18N6O
• Molecular Mass: 286.33232
• Monoisotopic Mass: 286.15420923
• SMILES: c12nc(oc1ncnc2NC(Cn1nc(cc1C)C)C)C
• Canonical SMILES: Cc1nc2c(o1)ncnc2NC(Cn1nc(cc1C)C)C
• InChI: InChI=1S/C14H18N6O/c1-8-5-10(3)20(19-8)6-9(2)17-13-12-14(16-7-15-13)21-11(4)18-12/h5,7,9H,6H2,1-4H3,(H,15,16,17)
• InChIKey: NIGHEUYROSGMPZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.174213
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.9279881
• LogD (pH = 7.4): 0.9311643
• Log P: 0.9312049
• Molar Refractivity: 91.4404 cm^3
• Polarizability: 29.679321 Å^3
• Polar Surface Area: 81.66 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 1.58
• LOG S: -2.64
• Polar Surface Area: 81.66 Å^2
• Rotatable Bonds: 4