5-(2-fluorophenyl)-N-[1-(pyrimidin-4-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine

• ChemBase ID: 500047
• Molecular Formular: C18H15FN6
• Molecular Mass: 334.3503032
• Monoisotopic Mass: 334.13422273
• SMILES: c1(n2c(nc(c1)c1c(F)cccc1)ccn2)NC(c1ncncc1)C
• Canonical SMILES: CC(c1ccncn1)Nc1cc(nc2n1ncc2)c1ccccc1F
• InChI: InChI=1S/C18H15FN6/c1-12(15-6-8-20-11-21-15)23-18-10-16(13-4-2-3-5-14(13)19)24-17-7-9-22-25(17)18/h2-12,23H,1H3
• InChIKey: MIXJWUKUWRKIOD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(2-fluorophenyl)-N-[1-(pyrimidin-4-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine
• IUPAC Traditional name: 5-(2-fluorophenyl)-N-[1-(pyrimidin-4-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine
• Synonyms: 5-(2-fluorophenyl)-N-[1-(4-pyrimidinyl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 2.8419614
• LogD (pH = 7.4): 2.8420177
• Log P: 2.8420184
• Molar Refractivity: 103.4499 cm^3
• Polarizability: 35.611626 Å^3
• Polar Surface Area: 68.0 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.32
• LOG S: -3.62
• Polar Surface Area: 68.0 Å^2
• Rotatable Bonds: 4