5-methyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine

• ChemBase ID: 709206
• Molecular Formular: C17H18N4
• Molecular Mass: 278.35162
• Monoisotopic Mass: 278.1531466
• SMILES: n12c(cc(nc1ccn2)C)NC1Cc2c(CC1)cccc2
• Canonical SMILES: Cc1cc(NC2CCc3c(C2)cccc3)n2c(n1)ccn2
• InChI: InChI=1S/C17H18N4/c1-12-10-17(21-16(19-12)8-9-18-21)20-15-7-6-13-4-2-3-5-14(13)11-15/h2-5,8-10,15,20H,6-7,11H2,1H3
• InChIKey: BVWCGNROVPTKDC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-methyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine
• IUPAC Traditional name: 5-methyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine
• Synonyms: 5-methyl-N-(1,2,3,4-tetrahydro-2-naphthalenyl)pyrazolo[1,5-a]pyrimidin-7-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.9037204
• LogD (pH = 7.4): 2.90377
• Log P: 2.9037704
• Molar Refractivity: 94.7606 cm^3
• Polarizability: 31.364458 Å^3
• Polar Surface Area: 42.22 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 3.86
• LOG S: -4.53
• Polar Surface Area: 42.22 Å^2
• Rotatable Bonds: 2