N,2,5-trimethyl-N-(pyrazin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine

• ChemBase ID: 725426
• Molecular Formular: C14H16N6
• Molecular Mass: 268.31704
• Monoisotopic Mass: 268.14364454
• SMILES: n12c(nc(cc1N(Cc1nccnc1)C)C)cc(n2)C
• Canonical SMILES: Cc1nn2c(c1)nc(cc2N(Cc1cnccn1)C)C
• InChI: InChI=1S/C14H16N6/c1-10-7-14(20-13(17-10)6-11(2)18-20)19(3)9-12-8-15-4-5-16-12/h4-8H,9H2,1-3H3
• InChIKey: ISAAKBACCIBBBE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,2,5-trimethyl-N-(pyrazin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
• IUPAC Traditional name: N,2,5-trimethyl-N-(pyrazin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
• Synonyms: N,2,5-trimethyl-N-(2-pyrazinylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 0.48326626
• LogD (pH = 7.4): 0.48364317
• Log P: 0.48364797
• Molar Refractivity: 86.4151 cm^3
• Polarizability: 28.531794 Å^3
• Polar Surface Area: 59.21 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: 1.24
• LOG S: -2.22
• Polar Surface Area: 59.21 Å^2
• Rotatable Bonds: 3