N-[(1R,2R)-2-(benzyloxy)cyclopentyl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine

• ChemBase ID: 697767
• Molecular Formular: C18H20N4O2
• Molecular Mass: 324.377
• Monoisotopic Mass: 324.1586259
• SMILES: c1(c2c(onc2C)ncn1)N[C@H]1[C@H](OCc2ccccc2)CCC1
• Canonical SMILES: Cc1noc2c1c(ncn2)N[C@@H]1CCC[C@H]1OCc1ccccc1
• InChI: InChI=1S/C18H20N4O2/c1-12-16-17(19-11-20-18(16)24-22-12)21-14-8-5-9-15(14)23-10-13-6-3-2-4-7-13/h2-4,6-7,11,14-15H,5,8-10H2,1H3,(H,19,20,21)/t14-,15-/m1/s1
• InChIKey: DEITZIUGYBSLJU-HUUCEWRRSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(1R,2R)-2-(benzyloxy)cyclopentyl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
• IUPAC Traditional name: N-[(1R,2R)-2-(benzyloxy)cyclopentyl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
• Synonyms: N-[(1R,2R)-2-(benzyloxy)cyclopentyl]-3-methylisoxazolo[5,4-d]pyrimidin-4-amine

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.54298
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 2.6421175
• LogD (pH = 7.4): 2.6465673
• Log P: 2.6466246
• Molar Refractivity: 92.6819 cm^3
• Polarizability: 34.89217 Å^3
• Polar Surface Area: 73.07 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 2.87
• LOG S: -4.55
• Polar Surface Area: 73.07 Å^2
• Rotatable Bonds: 5