N5-[(2,5-dimethoxyphenyl)methyl]-N2,N2-dimethyl-5,6,7,8-tetrahydroquinazoline-2,5-diamine

• ChemBase ID: 821217
• Molecular Formular: C19H26N4O2
• Molecular Mass: 342.43534
• Monoisotopic Mass: 342.20557609
• SMILES: c1(nc2c(cn1)C(NCc1c(ccc(c1)OC)OC)CCC2)N(C)C
• Canonical SMILES: COc1ccc(cc1CNC1CCCc2c1cnc(n2)N(C)C)OC
• InChI: InChI=1S/C19H26N4O2/c1-23(2)19-21-12-15-16(6-5-7-17(15)22-19)20-11-13-10-14(24-3)8-9-18(13)25-4/h8-10,12,16,20H,5-7,11H2,1-4H3
• InChIKey: SMQKPJCJNCXKCL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N5-[(2,5-dimethoxyphenyl)methyl]-N2,N2-dimethyl-5,6,7,8-tetrahydroquinazoline-2,5-diamine
• IUPAC Traditional name: N5-[(2,5-dimethoxyphenyl)methyl]-N2,N2-dimethyl-5,6,7,8-tetrahydroquinazoline-2,5-diamine
• Synonyms: N~5~-(2,5-dimethoxybenzyl)-N~2~,N~2~-dimethyl-5,6,7,8-tetrahydro-2,5-quinazolinediamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 0.206726
• LogD (pH = 7.4): 1.9409331
• Log P: 2.6667535
• Molar Refractivity: 99.6419 cm^3
• Polarizability: 37.908672 Å^3
• Polar Surface Area: 59.51 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 2.1
• LOG S: -3.44
• Polar Surface Area: 59.51 Å^2
• Rotatable Bonds: 3