5-(methoxymethyl)-N-(oxan-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine

• ChemBase ID: 559242
• Molecular Formular: C14H20N4O2
• Molecular Mass: 276.3342
• Monoisotopic Mass: 276.1586259
• SMILES: n12c(nc(cc1NCC1OCCCC1)COC)ccn2
• Canonical SMILES: COCc1cc(NCC2CCCCO2)n2c(n1)ccn2
• InChI: InChI=1S/C14H20N4O2/c1-19-10-11-8-14(18-13(17-11)5-6-16-18)15-9-12-4-2-3-7-20-12/h5-6,8,12,15H,2-4,7,9-10H2,1H3
• InChIKey: MJVHXMCLRLODMQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(methoxymethyl)-N-(oxan-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
• IUPAC Traditional name: 5-(methoxymethyl)-N-(oxan-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
• Synonyms: 5-(methoxymethyl)-N-(tetrahydro-2H-pyran-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.0354133
• LogD (pH = 7.4): 1.0354476
• Log P: 1.0354481
• Molar Refractivity: 87.1213 cm^3
• Polarizability: 28.926369 Å^3
• Polar Surface Area: 60.68 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.81
• LOG S: -1.91
• Polar Surface Area: 60.68 Å^2
• Rotatable Bonds: 5