N,2,3,5-tetramethyl-N-[(1-methyl-1H-imidazol-2-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine

• ChemBase ID: 520595
• Molecular Formular: C15H20N6
• Molecular Mass: 284.3595
• Monoisotopic Mass: 284.17494467
• SMILES: n12c(c(c(n2)C)C)nc(cc1N(Cc1n(ccn1)C)C)C
• Canonical SMILES: Cc1cc(N(Cc2nccn2C)C)n2c(n1)c(C)c(n2)C
• InChI: InChI=1S/C15H20N6/c1-10-8-14(20(5)9-13-16-6-7-19(13)4)21-15(17-10)11(2)12(3)18-21/h6-8H,9H2,1-5H3
• InChIKey: JROVTUYVFJABEX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,2,3,5-tetramethyl-N-[(1-methyl-1H-imidazol-2-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
• IUPAC Traditional name: N,2,3,5-tetramethyl-N-[(1-methylimidazol-2-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
• Synonyms: N,2,3,5-tetramethyl-N-[(1-methyl-1H-imidazol-2-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.97949475
• LogD (pH = 7.4): 1.5115837
• Log P: 1.5293149
• Molar Refractivity: 93.4708 cm^3
• Polarizability: 30.660246 Å^3
• Polar Surface Area: 51.25 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: 1.66
• LOG S: -2.69
• Polar Surface Area: 51.25 Å^2
• Rotatable Bonds: 3