2,5-dimethyl-N-{pyrazolo[1,5-a]pyrimidin-3-ylmethyl}pyrazolo[1,5-a]pyrimidin-7-amine

• ChemBase ID: 561065
• Molecular Formular: C15H15N7
• Molecular Mass: 293.3265
• Monoisotopic Mass: 293.13889352
• SMILES: n12c(nc(cc1NCc1c3n(nc1)cccn3)C)cc(n2)C
• Canonical SMILES: Cc1nn2c(c1)nc(cc2NCc1cnn2c1nccc2)C
• InChI: InChI=1S/C15H15N7/c1-10-6-13(22-14(19-10)7-11(2)20-22)17-8-12-9-18-21-5-3-4-16-15(12)21/h3-7,9,17H,8H2,1-2H3
• InChIKey: CCLIBPUKXUDUCJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,5-dimethyl-N-{pyrazolo[1,5-a]pyrimidin-3-ylmethyl}pyrazolo[1,5-a]pyrimidin-7-amine
• IUPAC Traditional name: 2,5-dimethyl-N-{pyrazolo[1,5-a]pyrimidin-3-ylmethyl}pyrazolo[1,5-a]pyrimidin-7-amine
• Synonyms: 2,5-dimethyl-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.8815781
• LogD (pH = 7.4): 0.8819769
• Log P: 0.881982
• Molar Refractivity: 104.7319 cm^3
• Polarizability: 30.548965 Å^3
• Polar Surface Area: 72.41 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.22
• LOG S: -2.38
• Polar Surface Area: 72.41 Å^2
• Rotatable Bonds: 3