N-[(4-methoxypyridin-2-yl)methyl]-2-methylthieno[3,2-d]pyrimidin-4-amine

• ChemBase ID: 585484
• Molecular Formular: C14H14N4OS
• Molecular Mass: 286.35216
• Monoisotopic Mass: 286.08883209
• SMILES: c1(c2c(nc(n1)C)ccs2)NCc1nccc(c1)OC
• Canonical SMILES: COc1ccnc(c1)CNc1nc(C)nc2c1scc2
• InChI: InChI=1S/C14H14N4OS/c1-9-17-12-4-6-20-13(12)14(18-9)16-8-10-7-11(19-2)3-5-15-10/h3-7H,8H2,1-2H3,(H,16,17,18)
• InChIKey: YCDDUQSMKPZNCZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(4-methoxypyridin-2-yl)methyl]-2-methylthieno[3,2-d]pyrimidin-4-amine
• IUPAC Traditional name: N-[(4-methoxypyridin-2-yl)methyl]-2-methylthieno[3,2-d]pyrimidin-4-amine
• Synonyms: N-[(4-methoxypyridin-2-yl)methyl]-2-methylthieno[3,2-d]pyrimidin-4-amine

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.8013525
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 2.297782
• LogD (pH = 7.4): 2.4372828
• Log P: 2.4392245
• Molar Refractivity: 79.2188 cm^3
• Polarizability: 30.660427 Å^3
• Polar Surface Area: 59.93 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 3.07
• LOG S: -3.36
• Polar Surface Area: 59.93 Å^2
• Rotatable Bonds: 4