N-[(1R,2R,4S)-bicyclo[2.2.1]heptan-2-yl]-5-ethylpyrazolo[1,5-a]pyrimidin-7-amine

• ChemBase ID: 515658
• Molecular Formular: C15H20N4
• Molecular Mass: 256.3461
• Monoisotopic Mass: 256.16879666
• SMILES: c1(n2c(nc(c1)CC)ccn2)N[C@H]1[C@H]2C[C@@H](C1)CC2
• Canonical SMILES: CCc1cc(N[C@@H]2C[C@@H]3C[C@H]2CC3)n2c(n1)ccn2
• InChI: InChI=1S/C15H20N4/c1-2-12-9-15(19-14(17-12)5-6-16-19)18-13-8-10-3-4-11(13)7-10/h5-6,9-11,13,18H,2-4,7-8H2,1H3/t10-,11+,13+/m0/s1
• InChIKey: NIRCSSOUDVMBIL-DMDPSCGWSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(1R,2R,4S)-bicyclo[2.2.1]heptan-2-yl]-5-ethylpyrazolo[1,5-a]pyrimidin-7-amine
• IUPAC Traditional name: N-[(1R,2R,4S)-bicyclo[2.2.1]heptan-2-yl]-5-ethylpyrazolo[1,5-a]pyrimidin-7-amine
• Synonyms: N-[(1R*,2R*,4S*)-bicyclo[2.2.1]hept-2-yl]-5-ethylpyrazolo[1,5-a]pyrimidin-7-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.5898676
• LogD (pH = 7.4): 2.589915
• Log P: 2.5899158
• Molar Refractivity: 86.0703 cm^3
• Polarizability: 28.557642 Å^3
• Polar Surface Area: 42.22 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 3.57
• LOG S: -4.12
• Polar Surface Area: 42.22 Å^2
• Rotatable Bonds: 3