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

• ChemBase ID: 319695
• Molecular Formular: C14H23N5
• Molecular Mass: 261.36592
• Monoisotopic Mass: 261.19534576
• SMILES: n12c(c(c(n2)C)C)nc(cc1N(CCN(C)C)C)C
• Canonical SMILES: CN(CCN(c1cc(C)nc2n1nc(c2C)C)C)C
• InChI: InChI=1S/C14H23N5/c1-10-9-13(18(6)8-7-17(4)5)19-14(15-10)11(2)12(3)16-19/h9H,7-8H2,1-6H3
• InChIKey: APIUGPPOWFFUFR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(dimethylamino)ethyl]-N,2,3,5-tetramethylpyrazolo[1,5-a]pyrimidin-7-amine
• IUPAC Traditional name: N-[2-(dimethylamino)ethyl]-N,2,3,5-tetramethylpyrazolo[1,5-a]pyrimidin-7-amine
• Synonyms: N,N,N'-trimethyl-N'-(2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)ethane-1,2-diamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -1.4922931
• LogD (pH = 7.4): 0.15248999
• Log P: 1.6451137
• Molar Refractivity: 89.6988 cm^3
• Polarizability: 29.539808 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: 1.64
• LOG S: -1.5
• Polar Surface Area: 36.67 Å^2
• Rotatable Bonds: 4