N-[2-(dimethylamino)ethyl]-N,2,5-trimethylpyrazolo[1,5-a]pyrimidin-7-amine

• ChemBase ID: 765423
• Molecular Formular: C13H21N5
• Molecular Mass: 247.33934
• Monoisotopic Mass: 247.1796957
• SMILES: n12c(nc(cc1N(CCN(C)C)C)C)cc(n2)C
• Canonical SMILES: CN(CCN(c1cc(C)nc2n1nc(c2)C)C)C
• InChI: InChI=1S/C13H21N5/c1-10-9-13(17(5)7-6-16(3)4)18-12(14-10)8-11(2)15-18/h8-9H,6-7H2,1-5H3
• InChIKey: YFBGVNWDQMRWKQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(dimethylamino)ethyl]-N,2,5-trimethylpyrazolo[1,5-a]pyrimidin-7-amine
• IUPAC Traditional name: N-[2-(dimethylamino)ethyl]-N,2,5-trimethylpyrazolo[1,5-a]pyrimidin-7-amine
• Synonyms: N-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-N,N',N'-trimethyl-1,2-ethanediamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -2.0042138
• LogD (pH = 7.4): -0.3583239
• Log P: 1.1316923
• Molar Refractivity: 84.6576 cm^3
• Polarizability: 27.778746 Å^3
• Polar Surface Area: 36.67 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 1.18
• LOG S: -1.0
• Polar Surface Area: 36.67 Å^2
• Rotatable Bonds: 4