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

• ChemBase ID: 452747
• Molecular Formular: C14H17N5S
• Molecular Mass: 287.38328
• Monoisotopic Mass: 287.12046657
• SMILES: c1(c2c(nc(n1)C)scc2)NC(Cc1[nH]nc(c1)C)C
• Canonical SMILES: CC(Nc1nc(C)nc2c1ccs2)Cc1[nH]nc(c1)C
• InChI: InChI=1S/C14H17N5S/c1-8(6-11-7-9(2)18-19-11)15-13-12-4-5-20-14(12)17-10(3)16-13/h4-5,7-8H,6H2,1-3H3,(H,18,19)(H,15,16,17)
• InChIKey: BFLSAGLWWCGDBS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.1870575
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 2.4095364
• LogD (pH = 7.4): 2.54183
• Log P: 2.5437977
• Molar Refractivity: 83.1999 cm^3
• Polarizability: 30.567225 Å^3
• Polar Surface Area: 66.49 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 3.22
• LOG S: -4.05
• Polar Surface Area: 66.49 Å^2
• Rotatable Bonds: 4