N-[(1,2-dimethyl-1H-imidazol-5-yl)methyl]-2-(pyridin-3-yl)-5,6,7,8-tetrahydroquinazolin-5-amine

• ChemBase ID: 820614
• Molecular Formular: C19H22N6
• Molecular Mass: 334.41818
• Monoisotopic Mass: 334.19059473
• SMILES: n1(c(cnc1C)CNC1c2c(nc(nc2)c2cnccc2)CCC1)C
• Canonical SMILES: Cc1ncc(n1C)CNC1CCCc2c1cnc(n2)c1cccnc1
• InChI: InChI=1S/C19H22N6/c1-13-21-10-15(25(13)2)11-22-17-6-3-7-18-16(17)12-23-19(24-18)14-5-4-8-20-9-14/h4-5,8-10,12,17,22H,3,6-7,11H2,1-2H3
• InChIKey: NTSNAUZWJLPLKI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(1,2-dimethyl-1H-imidazol-5-yl)methyl]-2-(pyridin-3-yl)-5,6,7,8-tetrahydroquinazolin-5-amine
• IUPAC Traditional name: N-[(2,3-dimethylimidazol-4-yl)methyl]-2-(pyridin-3-yl)-5,6,7,8-tetrahydroquinazolin-5-amine
• Synonyms: N-[(1,2-dimethyl-1H-imidazol-5-yl)methyl]-2-(3-pyridinyl)-5,6,7,8-tetrahydro-5-quinazolinamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -1.2329292
• LogD (pH = 7.4): 0.84492487
• Log P: 1.4401803
• Molar Refractivity: 107.7648 cm^3
• Polarizability: 37.77962 Å^3
• Polar Surface Area: 68.52 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 0.01
• LOG S: -3.23
• Polar Surface Area: 68.52 Å^2
• Rotatable Bonds: 4