2-methyl-N-[1-(1H-1,2,3,4-tetrazol-5-yl)ethyl]thieno[3,2-d]pyrimidin-4-amine

• ChemBase ID: 364529
• Molecular Formular: C10H11N7S
• Molecular Mass: 261.30624
• Monoisotopic Mass: 261.07966439
• SMILES: c1(c2c(nc(n1)C)ccs2)NC(c1nnn[nH]1)C
• Canonical SMILES: Cc1nc(NC(c2nnn[nH]2)C)c2c(n1)ccs2
• InChI: InChI=1S/C10H11N7S/c1-5(9-14-16-17-15-9)11-10-8-7(3-4-18-8)12-6(2)13-10/h3-5H,1-2H3,(H,11,12,13)(H,14,15,16,17)
• InChIKey: LNCGSRPMADXLAY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-N-[1-(1H-1,2,3,4-tetrazol-5-yl)ethyl]thieno[3,2-d]pyrimidin-4-amine
• IUPAC Traditional name: 2-methyl-N-[1-(1H-1,2,3,4-tetrazol-5-yl)ethyl]thieno[3,2-d]pyrimidin-4-amine
• Synonyms: 2-methyl-N-[1-(1H-tetrazol-5-yl)ethyl]thieno[3,2-d]pyrimidin-4-amine

CALCULATED PROPERTIES

JChem

• Acid pKa: 3.989076
• H Acceptors: 6
• H Donor: 2
• LogD (pH = 5.5): 0.42057493
• LogD (pH = 7.4): 0.16340736
• Log P: 0.5996203
• Molar Refractivity: 71.5162 cm^3
• Polarizability: 25.990784 Å^3
• Polar Surface Area: 92.27 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 1.68
• LOG S: -1.43
• Polar Surface Area: 92.27 Å^2
• Rotatable Bonds: 3