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

• ChemBase ID: 393922
• Molecular Formular: C14H16N4O
• Molecular Mass: 256.30304
• Monoisotopic Mass: 256.13241115
• SMILES: n12c(nc(cc1NCc1oc(cc1)C)CC)ccn2
• Canonical SMILES: CCc1cc(NCc2ccc(o2)C)n2c(n1)ccn2
• InChI: InChI=1S/C14H16N4O/c1-3-11-8-14(18-13(17-11)6-7-16-18)15-9-12-5-4-10(2)19-12/h4-8,15H,3,9H2,1-2H3
• InChIKey: LJRNDJHROLFISU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-ethyl-N-[(5-methylfuran-2-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
• IUPAC Traditional name: 5-ethyl-N-[(5-methylfuran-2-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
• Synonyms: 5-ethyl-N-[(5-methyl-2-furyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.0311813
• LogD (pH = 7.4): 2.0312283
• Log P: 2.0312288
• Molar Refractivity: 84.5923 cm^3
• Polarizability: 27.194067 Å^3
• Polar Surface Area: 55.36 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.82
• LOG S: -3.48
• Polar Surface Area: 55.36 Å^2
• Rotatable Bonds: 4