N,5-dimethyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine

• ChemBase ID: 689516
• Molecular Formular: C14H15N5
• Molecular Mass: 253.3024
• Monoisotopic Mass: 253.13274551
• SMILES: n12c(cc(nc1ccn2)C)N(Cc1cnccc1)C
• Canonical SMILES: Cc1cc(N(Cc2cccnc2)C)n2c(n1)ccn2
• InChI: InChI=1S/C14H15N5/c1-11-8-14(19-13(17-11)5-7-16-19)18(2)10-12-4-3-6-15-9-12/h3-9H,10H2,1-2H3
• InChIKey: SANVJMHWTCVUKY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,5-dimethyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
• IUPAC Traditional name: N,5-dimethyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
• Synonyms: N,5-dimethyl-N-(3-pyridinylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.4160957
• LogD (pH = 7.4): 1.4874672
• Log P: 1.4884783
• Molar Refractivity: 84.5027 cm^3
• Polarizability: 27.657969 Å^3
• Polar Surface Area: 46.32 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 1.79
• LOG S: -1.28
• Polar Surface Area: 46.32 Å^2
• Rotatable Bonds: 3