N-{[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl}-1-{thieno[3,2-d]pyrimidin-4-yl}piperidin-4-amine

• ChemBase ID: 700609
• Molecular Formular: C16H20N6O2S
• Molecular Mass: 360.434
• Monoisotopic Mass: 360.13684491
• SMILES: c1(c2sccc2ncn1)N1CCC(NCc2nc(no2)COC)CC1
• Canonical SMILES: COCc1noc(n1)CNC1CCN(CC1)c1ncnc2c1scc2
• InChI: InChI=1S/C16H20N6O2S/c1-23-9-13-20-14(24-21-13)8-17-11-2-5-22(6-3-11)16-15-12(4-7-25-15)18-10-19-16/h4,7,10-11,17H,2-3,5-6,8-9H2,1H3
• InChIKey: XFBRBVMONKMTOZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl}-1-{thieno[3,2-d]pyrimidin-4-yl}piperidin-4-amine
• IUPAC Traditional name: N-{[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl}-1-{thieno[3,2-d]pyrimidin-4-yl}piperidin-4-amine
• Synonyms: N-{[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl}-1-thieno[3,2-d]pyrimidin-4-ylpiperidin-4-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 7
• H Donor: 1
• LogD (pH = 5.5): -0.015978254
• LogD (pH = 7.4): 1.457233
• Log P: 1.6559666
• Molar Refractivity: 96.2224 cm^3
• Polarizability: 36.809437 Å^3
• Polar Surface Area: 89.2 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 1
• Log P: 1.54
• LOG S: -2.13
• Polar Surface Area: 89.2 Å^2
• Rotatable Bonds: 6