N,N-diethyl-5-methyl-6-(piperidine-1-carbonyl)thieno[2,3-d]pyrimidin-4-amine

• ChemBase ID: 548052
• Molecular Formular: C17H24N4OS
• Molecular Mass: 332.46366
• Monoisotopic Mass: 332.16708241
• SMILES: c1(c(c2c(s1)ncnc2N(CC)CC)C)C(=O)N1CCCCC1
• Canonical SMILES: CCN(c1ncnc2c1c(C)c(s2)C(=O)N1CCCCC1)CC
• InChI: InChI=1S/C17H24N4OS/c1-4-20(5-2)15-13-12(3)14(23-16(13)19-11-18-15)17(22)21-9-7-6-8-10-21/h11H,4-10H2,1-3H3
• InChIKey: DVWGWMUASVFIQY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-diethyl-5-methyl-6-(piperidine-1-carbonyl)thieno[2,3-d]pyrimidin-4-amine
• IUPAC Traditional name: N,N-diethyl-5-methyl-6-(piperidine-1-carbonyl)thieno[2,3-d]pyrimidin-4-amine
• Synonyms: N,N-diethyl-5-methyl-6-(1-piperidinylcarbonyl)thieno[2,3-d]pyrimidin-4-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.5023727
• LogD (pH = 7.4): 3.503544
• Log P: 3.5035589
• Molar Refractivity: 96.0934 cm^3
• Polarizability: 35.653767 Å^3
• Polar Surface Area: 49.33 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.28
• LOG S: -3.57
• Polar Surface Area: 49.33 Å^2
• Rotatable Bonds: 1