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

• ChemBase ID: 527200
• Molecular Formular: C18H23N5
• Molecular Mass: 309.40872
• Monoisotopic Mass: 309.19534576
• SMILES: n12c(nc(cc1NCC(c1c(C)cccc1)N(C)C)C)ccn2
• Canonical SMILES: CN(C(c1ccccc1C)CNc1cc(C)nc2n1ncc2)C
• InChI: InChI=1S/C18H23N5/c1-13-7-5-6-8-15(13)16(22(3)4)12-19-18-11-14(2)21-17-9-10-20-23(17)18/h5-11,16,19H,12H2,1-4H3
• InChIKey: VMOBYRYCYGNVJJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(dimethylamino)-2-(2-methylphenyl)ethyl]-5-methylpyrazolo[1,5-a]pyrimidin-7-amine
• IUPAC Traditional name: N-[2-(dimethylamino)-2-(2-methylphenyl)ethyl]-5-methylpyrazolo[1,5-a]pyrimidin-7-amine
• Synonyms: N~1~,N~1~-dimethyl-1-(2-methylphenyl)-N~2~-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)-1,2-ethanediamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.5022893
• LogD (pH = 7.4): 1.1218443
• Log P: 2.662718
• Molar Refractivity: 105.1553 cm^3
• Polarizability: 35.543247 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: 3.34
• LOG S: -3.3
• Polar Surface Area: 45.46 Å^2
• Rotatable Bonds: 5