N-{2-methylthieno[3,2-d]pyrimidin-4-yl}-1-(morpholine-4-carbonyl)piperidin-4-amine

• ChemBase ID: 687371
• Molecular Formular: C17H23N5O2S
• Molecular Mass: 361.46182
• Monoisotopic Mass: 361.157246
• SMILES: c1(c2c(nc(n1)C)ccs2)NC1CCN(C(=O)N2CCOCC2)CC1
• Canonical SMILES: O=C(N1CCOCC1)N1CCC(CC1)Nc1nc(C)nc2c1scc2
• InChI: InChI=1S/C17H23N5O2S/c1-12-18-14-4-11-25-15(14)16(19-12)20-13-2-5-21(6-3-13)17(23)22-7-9-24-10-8-22/h4,11,13H,2-3,5-10H2,1H3,(H,18,19,20)
• InChIKey: FPZHSLXJPIZABD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{2-methylthieno[3,2-d]pyrimidin-4-yl}-1-(morpholine-4-carbonyl)piperidin-4-amine
• IUPAC Traditional name: N-{2-methylthieno[3,2-d]pyrimidin-4-yl}-1-(morpholine-4-carbonyl)piperidin-4-amine
• Synonyms: 2-methyl-N-[1-(morpholin-4-ylcarbonyl)piperidin-4-yl]thieno[3,2-d]pyrimidin-4-amine

CALCULATED PROPERTIES

JChem

• Acid pKa: 17.425497
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.1515146
• LogD (pH = 7.4): 1.2382283
• Log P: 1.2394547
• Molar Refractivity: 98.089 cm^3
• Polarizability: 37.632378 Å^3
• Polar Surface Area: 70.59 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.46
• LOG S: -3.54
• Polar Surface Area: 70.59 Å^2
• Rotatable Bonds: 2