N-({5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl}methyl)-N-[(1-methyl-1H-imidazol-2-yl)methyl]cyclopropanamine

• ChemBase ID: 788349
• Molecular Formular: C17H22N6
• Molecular Mass: 310.39678
• Monoisotopic Mass: 310.19059473
• SMILES: c12n(ncc1CN(C1CC1)Cc1n(ccn1)C)c(cc(n2)C)C
• Canonical SMILES: Cc1cc(C)n2c(n1)c(cn2)CN(C1CC1)Cc1nccn1C
• InChI: InChI=1S/C17H22N6/c1-12-8-13(2)23-17(20-12)14(9-19-23)10-22(15-4-5-15)11-16-18-6-7-21(16)3/h6-9,15H,4-5,10-11H2,1-3H3
• InChIKey: VKJXGXWCRVIBPY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-({5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl}methyl)-N-[(1-methyl-1H-imidazol-2-yl)methyl]cyclopropanamine
• IUPAC Traditional name: N-({5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl}methyl)-N-[(1-methylimidazol-2-yl)methyl]cyclopropanamine
• Synonyms: N-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-N-[(1-methyl-1H-imidazol-2-yl)methyl]cyclopropanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.4477467
• LogD (pH = 7.4): 1.2584451
• Log P: 1.2937111
• Molar Refractivity: 101.0598 cm^3
• Polarizability: 34.08197 Å^3
• Polar Surface Area: 51.25 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.77
• LOG S: -1.97
• Polar Surface Area: 51.25 Å^2
• Rotatable Bonds: 5