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

• ChemBase ID: 503395
• Molecular Formular: C14H16N4O
• Molecular Mass: 256.30304
• Monoisotopic Mass: 256.13241115
• SMILES: n12c(nc(cc1NCc1oc(cc1)C)C)cc(n2)C
• Canonical SMILES: Cc1ccc(o1)CNc1cc(C)nc2n1nc(c2)C
• InChI: InChI=1S/C14H16N4O/c1-9-6-13(15-8-12-5-4-11(3)19-12)18-14(16-9)7-10(2)17-18/h4-7,15H,8H2,1-3H3
• InChIKey: LUERPPFKDZMGME-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,5-dimethyl-N-[(5-methylfuran-2-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
• IUPAC Traditional name: 2,5-dimethyl-N-[(5-methylfuran-2-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
• Synonyms: 2,5-dimethyl-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): 1.4616787
• LogD (pH = 7.4): 1.4620583
• Log P: 1.4620632
• Molar Refractivity: 84.5569 cm^3
• Polarizability: 27.115824 Å^3
• Polar Surface Area: 55.36 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.75
• LOG S: -3.42
• Polar Surface Area: 55.36 Å^2
• Rotatable Bonds: 3