(1R,3R)-N1-{5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl}cyclopentane-1,3-diamine

• ChemBase ID: 616550
• Molecular Formular: C15H23N5
• Molecular Mass: 273.37662
• Monoisotopic Mass: 273.19534576
• SMILES: n12c(c(c(n2)C)C)nc(cc1N[C@H]1C[C@H](N)CC1)CC
• Canonical SMILES: CCc1cc(N[C@@H]2CC[C@H](C2)N)n2c(n1)c(C)c(n2)C
• InChI: InChI=1S/C15H23N5/c1-4-12-8-14(17-13-6-5-11(16)7-13)20-15(18-12)9(2)10(3)19-20/h8,11,13,17H,4-7,16H2,1-3H3/t11-,13-/m1/s1
• InChIKey: RWZINYIEZZHUFS-DGCLKSJQSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1R,3R)-N1-{5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl}cyclopentane-1,3-diamine
• IUPAC Traditional name: (1R,3R)-N1-{5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl}cyclopentane-1,3-diamine
• Synonyms: (1R*,3R*)-N-(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-1,3-cyclopentanediamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -1.5405891
• LogD (pH = 7.4): -1.025293
• Log P: 1.4800469
• Molar Refractivity: 91.7684 cm^3
• Polarizability: 30.652437 Å^3
• Polar Surface Area: 68.24 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 2.28
• LOG S: -2.13
• Polar Surface Area: 68.24 Å^2
• Rotatable Bonds: 3