N-[(1R,2R)-2-(benzyloxy)cyclopentyl]pyrimidin-2-amine

• ChemBase ID: 454919
• Molecular Formular: C16H19N3O
• Molecular Mass: 269.34156
• Monoisotopic Mass: 269.15281224
• SMILES: c1(N[C@H]2[C@H](OCc3ccccc3)CCC2)ncccn1
• Canonical SMILES: c1ccc(cc1)CO[C@@H]1CCC[C@H]1Nc1ncccn1
• InChI: InChI=1S/C16H19N3O/c1-2-6-13(7-3-1)12-20-15-9-4-8-14(15)19-16-17-10-5-11-18-16/h1-3,5-7,10-11,14-15H,4,8-9,12H2,(H,17,18,19)/t14-,15-/m1/s1
• InChIKey: WUYNOZUDXCSDFG-HUUCEWRRSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(1R,2R)-2-(benzyloxy)cyclopentyl]pyrimidin-2-amine
• IUPAC Traditional name: N-[(1R,2R)-2-(benzyloxy)cyclopentyl]pyrimidin-2-amine
• Synonyms: N-[(1R,2R)-2-(benzyloxy)cyclopentyl]pyrimidin-2-amine

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.167948
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.8456385
• LogD (pH = 7.4): 2.8486588
• Log P: 2.8486974
• Molar Refractivity: 80.0006 cm^3
• Polarizability: 30.281868 Å^3
• Polar Surface Area: 47.04 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.87
• LOG S: -3.79
• Polar Surface Area: 47.04 Å^2
• Rotatable Bonds: 5