6-methoxy-N-[(3R,4R)-4-(piperidin-1-yl)oxolan-3-yl]pyrimidin-4-amine

• ChemBase ID: 717882
• Molecular Formular: C14H22N4O2
• Molecular Mass: 278.35008
• Monoisotopic Mass: 278.17427596
• SMILES: [C@H]1([C@@H](N2CCCCC2)COC1)Nc1ncnc(c1)OC
• Canonical SMILES: COc1ncnc(c1)N[C@H]1COC[C@@H]1N1CCCCC1
• InChI: InChI=1S/C14H22N4O2/c1-19-14-7-13(15-10-16-14)17-11-8-20-9-12(11)18-5-3-2-4-6-18/h7,10-12H,2-6,8-9H2,1H3,(H,15,16,17)/t11-,12-/m0/s1
• InChIKey: BCUTWGXDFJWHFA-RYUDHWBXSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methoxy-N-[(3R,4R)-4-(piperidin-1-yl)oxolan-3-yl]pyrimidin-4-amine
• IUPAC Traditional name: 6-methoxy-N-[(3R,4R)-4-(piperidin-1-yl)oxolan-3-yl]pyrimidin-4-amine
• Synonyms: 6-methoxy-N-[(3R*,4R*)-4-piperidin-1-yltetrahydrofuran-3-yl]pyrimidin-4-amine

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.426977
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): -1.0694919
• LogD (pH = 7.4): 0.70327795
• Log P: 1.3238018
• Molar Refractivity: 78.5823 cm^3
• Polarizability: 29.545816 Å^3
• Polar Surface Area: 59.51 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: 2.6
• LOG S: -2.44
• Polar Surface Area: 59.51 Å^2
• Rotatable Bonds: 4