N-(2-ethoxypropyl)-N,1,6-trimethyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine

• ChemBase ID: 862387
• Molecular Formular: C13H21N5O
• Molecular Mass: 263.33874
• Monoisotopic Mass: 263.17461032
• SMILES: c12c(nc(nc1N(CC(OCC)C)C)C)n(nc2)C
• Canonical SMILES: CCOC(CN(c1nc(C)nc2c1cnn2C)C)C
• InChI: InChI=1S/C13H21N5O/c1-6-19-9(2)8-17(4)12-11-7-14-18(5)13(11)16-10(3)15-12/h7,9H,6,8H2,1-5H3
• InChIKey: LZFUTBMTLBGSAS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-ethoxypropyl)-N,1,6-trimethyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
• IUPAC Traditional name: N-(2-ethoxypropyl)-N,1,6-trimethylpyrazolo[3,4-d]pyrimidin-4-amine
• Synonyms: N-(2-ethoxypropyl)-N,1,6-trimethyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.6598101
• LogD (pH = 7.4): 1.8142637
• Log P: 1.8166394
• Molar Refractivity: 87.4834 cm^3
• Polarizability: 28.59755 Å^3
• Polar Surface Area: 56.07 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: 0.63
• LOG S: -1.66
• Polar Surface Area: 56.07 Å^2
• Rotatable Bonds: 5