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

• ChemBase ID: 325775
• Molecular Formular: C17H22N6O2S
• Molecular Mass: 374.46058
• Monoisotopic Mass: 374.15249497
• SMILES: c1(c2sccc2ncn1)N1CCC(CC1)NCCc1nc(no1)COC
• Canonical SMILES: COCc1noc(n1)CCNC1CCN(CC1)c1ncnc2c1scc2
• InChI: InChI=1S/C17H22N6O2S/c1-24-10-14-21-15(25-22-14)2-6-18-12-3-7-23(8-4-12)17-16-13(5-9-26-16)19-11-20-17/h5,9,11-12,18H,2-4,6-8,10H2,1H3
• InChIKey: QTPAQOZEYGJLKJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 7
• H Donor: 1
• LogD (pH = 5.5): -1.4231682
• LogD (pH = 7.4): -0.1626771
• Log P: 1.8467469
• Molar Refractivity: 100.9218 cm^3
• Polarizability: 38.56902 Å^3
• Polar Surface Area: 89.2 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 1
• Log P: 1.71
• LOG S: -2.38
• Polar Surface Area: 89.2 Å^2
• Rotatable Bonds: 7