N-ethyl-N,1,6-trimethyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine

• ChemBase ID: 663911
• Molecular Formular: C10H15N5
• Molecular Mass: 205.2596
• Monoisotopic Mass: 205.13274551
• SMILES: c12c(nc(nc1N(CC)C)C)n(nc2)C
• Canonical SMILES: CCN(c1nc(C)nc2c1cnn2C)C
• InChI: InChI=1S/C10H15N5/c1-5-14(3)9-8-6-11-15(4)10(8)13-7(2)12-9/h6H,5H2,1-4H3
• InChIKey: HCXKVXSARSQWHW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-ethyl-N,1,6-trimethyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
• IUPAC Traditional name: N-ethyl-N,1,6-trimethylpyrazolo[3,4-d]pyrimidin-4-amine
• Synonyms: N-ethyl-N,1,6-trimethyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.3596771
• LogD (pH = 7.4): 1.5226774
• Log P: 1.5252107
• Molar Refractivity: 72.0211 cm^3
• Polarizability: 22.376675 Å^3
• Polar Surface Area: 46.84 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 0.37
• LOG S: -1.01
• Polar Surface Area: 46.84 Å^2
• Rotatable Bonds: 2