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

• ChemBase ID: 402965
• Molecular Formular: C14H23N5
• Molecular Mass: 261.36592
• Monoisotopic Mass: 261.19534576
• SMILES: n12c(nc(cc1NCCCN(C)C)C(C)C)ccn2
• Canonical SMILES: CN(CCCNc1cc(nc2n1ncc2)C(C)C)C
• InChI: InChI=1S/C14H23N5/c1-11(2)12-10-14(15-7-5-9-18(3)4)19-13(17-12)6-8-16-19/h6,8,10-11,15H,5,7,9H2,1-4H3
• InChIKey: KGUJRXNGWWINKC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(dimethylamino)propyl]-5-(propan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine
• IUPAC Traditional name: N-[3-(dimethylamino)propyl]-5-isopropylpyrazolo[1,5-a]pyrimidin-7-amine
• Synonyms: N'-(5-isopropylpyrazolo[1,5-a]pyrimidin-7-yl)-N,N-dimethylpropane-1,3-diamine

CALCULATED PROPERTIES

JChem

• LogD (pH = 7.4): -0.3203071
• Log P: 1.6685383
• Molar Refractivity: 89.8981 cm^3
• Polarizability: 29.700974 Å^3
• Polar Surface Area: 45.46 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.6864235

供应商提供(Chembridge)

• Log P: 2.19
• LOG S: -1.97
• Polar Surface Area: 45.46 Å^2
• Rotatable Bonds: 6
• H Acceptors: 3
• H Donor: 1