N-ethyl-2-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine

• ChemBase ID: 409782
• Molecular Formular: C16H25N5S
• Molecular Mass: 319.4682
• Monoisotopic Mass: 319.18306683
• SMILES: c1(c2c(nc(n1)C)scc2)N(CCN1CCN(CC1)C)CC
• Canonical SMILES: CCN(c1nc(C)nc2c1ccs2)CCN1CCN(CC1)C
• InChI: InChI=1S/C16H25N5S/c1-4-21(11-10-20-8-6-19(3)7-9-20)15-14-5-12-22-16(14)18-13(2)17-15/h5,12H,4,6-11H2,1-3H3
• InChIKey: RNSKGAAFBQGTDG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-ethyl-2-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine
• IUPAC Traditional name: N-ethyl-2-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine
• Synonyms: N-ethyl-2-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -0.12078069
• LogD (pH = 7.4): 1.7598054
• Log P: 2.7746964
• Molar Refractivity: 94.1993 cm^3
• Polarizability: 35.85221 Å^3
• Polar Surface Area: 35.5 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.14
• LOG S: -2.35
• Polar Surface Area: 35.5 Å^2
• Rotatable Bonds: 5