4-[5-(methoxymethyl)pyrazolo[1,5-a]pyrimidin-7-yl]morpholine

• ChemBase ID: 420145
• Molecular Formular: C12H16N4O2
• Molecular Mass: 248.28104
• Monoisotopic Mass: 248.12732577
• SMILES: n12c(cc(nc1ccn2)COC)N1CCOCC1
• Canonical SMILES: COCc1cc(N2CCOCC2)n2c(n1)ccn2
• InChI: InChI=1S/C12H16N4O2/c1-17-9-10-8-12(15-4-6-18-7-5-15)16-11(14-10)2-3-13-16/h2-3,8H,4-7,9H2,1H3
• InChIKey: TWTBZAXDQXTGJQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[5-(methoxymethyl)pyrazolo[1,5-a]pyrimidin-7-yl]morpholine
• IUPAC Traditional name: 4-[5-(methoxymethyl)pyrazolo[1,5-a]pyrimidin-7-yl]morpholine
• Synonyms: 5-(methoxymethyl)-7-(4-morpholinyl)pyrazolo[1,5-a]pyrimidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 0.58902156
• LogD (pH = 7.4): 0.58905524
• Log P: 0.58905566
• Molar Refractivity: 77.5749 cm^3
• Polarizability: 25.258223 Å^3
• Polar Surface Area: 51.89 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: -0.3
• LOG S: -0.76
• Polar Surface Area: 51.89 Å^2
• Rotatable Bonds: 3