N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]cyclopropanecarboxamide

• ChemBase ID: 615169
• Molecular Formular: C14H20N4O
• Molecular Mass: 260.3348
• Monoisotopic Mass: 260.16371128
• SMILES: c1(nc2c(C(NC(=O)C3CC3)CCC2)cn1)N(C)C
• Canonical SMILES: O=C(C1CC1)NC1CCCc2c1cnc(n2)N(C)C
• InChI: InChI=1S/C14H20N4O/c1-18(2)14-15-8-10-11(4-3-5-12(10)17-14)16-13(19)9-6-7-9/h8-9,11H,3-7H2,1-2H3,(H,16,19)
• InChIKey: XKMOMMVBUOBXNA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]cyclopropanecarboxamide
• IUPAC Traditional name: N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]cyclopropanecarboxamide
• Synonyms: N-[2-(dimethylamino)-5,6,7,8-tetrahydro-5-quinazolinyl]cyclopropanecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.056408
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.4165133
• LogD (pH = 7.4): 1.4235944
• Log P: 1.4236854
• Molar Refractivity: 74.1713 cm^3
• Polarizability: 27.772223 Å^3
• Polar Surface Area: 58.12 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 0.73
• LOG S: -3.33
• Polar Surface Area: 58.12 Å^2
• Rotatable Bonds: 2