2-(2-aminoethyl)-N-[cyclopropyl(pyridin-2-yl)methyl]-N-methylquinazolin-4-amine

• ChemBase ID: 481175
• Molecular Formular: C20H23N5
• Molecular Mass: 333.43012
• Monoisotopic Mass: 333.19534576
• SMILES: c1(N(C(C2CC2)c2ncccc2)C)nc(nc2c1cccc2)CCN
• Canonical SMILES: NCCc1nc(N(C(c2ccccn2)C2CC2)C)c2c(n1)cccc2
• InChI: InChI=1S/C20H23N5/c1-25(19(14-9-10-14)17-8-4-5-13-22-17)20-15-6-2-3-7-16(15)23-18(24-20)11-12-21/h2-8,13-14,19H,9-12,21H2,1H3
• InChIKey: GWSQOYWHZNWOCY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-aminoethyl)-N-[cyclopropyl(pyridin-2-yl)methyl]-N-methylquinazolin-4-amine
• IUPAC Traditional name: 2-(2-aminoethyl)-N-[cyclopropyl(pyridin-2-yl)methyl]-N-methylquinazolin-4-amine
• Synonyms: 2-(2-aminoethyl)-N-[cyclopropyl(pyridin-2-yl)methyl]-N-methylquinazolin-4-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.47254926
• LogD (pH = 7.4): 1.632991
• Log P: 3.6321278
• Molar Refractivity: 99.8469 cm^3
• Polarizability: 39.533447 Å^3
• Polar Surface Area: 67.93 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.29
• LOG S: -1.28
• Polar Surface Area: 67.93 Å^2
• Rotatable Bonds: 6