7,7-dimethyl-N-[(5-methylthiophen-2-yl)methyl]-2-(morpholin-4-yl)-5,6,7,8-tetrahydroquinazolin-5-amine

• ChemBase ID: 318869
• Molecular Formular: C20H28N4OS
• Molecular Mass: 372.52752
• Monoisotopic Mass: 372.19838254
• SMILES: c1(nc2c(C(NCc3sc(cc3)C)CC(C2)(C)C)cn1)N1CCOCC1
• Canonical SMILES: Cc1ccc(s1)CNC1CC(C)(C)Cc2c1cnc(n2)N1CCOCC1
• InChI: InChI=1S/C20H28N4OS/c1-14-4-5-15(26-14)12-21-17-10-20(2,3)11-18-16(17)13-22-19(23-18)24-6-8-25-9-7-24/h4-5,13,17,21H,6-12H2,1-3H3
• InChIKey: CZMKRBJLQVIJMH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7,7-dimethyl-N-[(5-methylthiophen-2-yl)methyl]-2-(morpholin-4-yl)-5,6,7,8-tetrahydroquinazolin-5-amine
• IUPAC Traditional name: 7,7-dimethyl-N-[(5-methylthiophen-2-yl)methyl]-2-(morpholin-4-yl)-6,8-dihydro-5H-quinazolin-5-amine
• Synonyms: 7,7-dimethyl-N-[(5-methyl-2-thienyl)methyl]-2-(4-morpholinyl)-5,6,7,8-tetrahydro-5-quinazolinamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.0686005
• LogD (pH = 7.4): 2.7242777
• Log P: 3.909404
• Molar Refractivity: 106.7599 cm^3
• Polarizability: 40.620148 Å^3
• Polar Surface Area: 50.28 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.93
• LOG S: -4.73
• Polar Surface Area: 50.28 Å^2
• Rotatable Bonds: 4