N-[3-(dimethylamino)propyl]-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine

• ChemBase ID: 470991
• Molecular Formular: C13H21N5
• Molecular Mass: 247.33934
• Monoisotopic Mass: 247.1796957
• SMILES: n12c(nc(cc1NCCCN(C)C)C)cc(n2)C
• Canonical SMILES: CN(CCCNc1cc(C)nc2n1nc(c2)C)C
• InChI: InChI=1S/C13H21N5/c1-10-8-12(14-6-5-7-17(3)4)18-13(15-10)9-11(2)16-18/h8-9,14H,5-7H2,1-4H3
• InChIKey: SRRQNKPDFNPTHH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(dimethylamino)propyl]-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine
• IUPAC Traditional name: N-[3-(dimethylamino)propyl]-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine
• Synonyms: N'-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-N,N-dimethyl-1,3-propanediamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.7989166
• LogD (pH = 7.4): -1.4324634
• Log P: 0.55638635
• Molar Refractivity: 85.2882 cm^3
• Polarizability: 27.779188 Å^3
• Polar Surface Area: 45.46 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.77
• LOG S: -1.51
• Polar Surface Area: 45.46 Å^2
• Rotatable Bonds: 5