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

• ChemBase ID: 516205
• Molecular Formular: C14H18N6O
• Molecular Mass: 286.33232
• Monoisotopic Mass: 286.15420923
• SMILES: c12c(ncnc1onc2C)N(CCCc1n(ccn1)C)C
• Canonical SMILES: CN(c1ncnc2c1c(C)no2)CCCc1nccn1C
• InChI: InChI=1S/C14H18N6O/c1-10-12-13(16-9-17-14(12)21-18-10)20(3)7-4-5-11-15-6-8-19(11)2/h6,8-9H,4-5,7H2,1-3H3
• InChIKey: QIWGZHBEMOKMSR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,3-dimethyl-N-[3-(1-methyl-1H-imidazol-2-yl)propyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
• IUPAC Traditional name: N,3-dimethyl-N-[3-(1-methylimidazol-2-yl)propyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
• Synonyms: N,3-dimethyl-N-[3-(1-methyl-1H-imidazol-2-yl)propyl]isoxazolo[5,4-d]pyrimidin-4-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 0.06632668
• LogD (pH = 7.4): 0.86847955
• Log P: 1.0630119
• Molar Refractivity: 81.0237 cm^3
• Polarizability: 29.76609 Å^3
• Polar Surface Area: 72.87 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 0.42
• LOG S: -3.6
• Polar Surface Area: 72.87 Å^2
• Rotatable Bonds: 5