N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]imidazo[1,2-a]pyrimidine-2-carboxamide

• ChemBase ID: 664910
• Molecular Formular: C17H19N7O
• Molecular Mass: 337.37906
• Monoisotopic Mass: 337.16510826
• SMILES: c1(nc2n(c1)cccn2)C(=O)NC1c2c(nc(nc2)N(C)C)CCC1
• Canonical SMILES: O=C(c1cn2c(n1)nccc2)NC1CCCc2c1cnc(n2)N(C)C
• InChI: InChI=1S/C17H19N7O/c1-23(2)16-19-9-11-12(5-3-6-13(11)21-16)20-15(25)14-10-24-8-4-7-18-17(24)22-14/h4,7-10,12H,3,5-6H2,1-2H3,(H,20,25)
• InChIKey: FLUOLILFFVWAEP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]imidazo[1,2-a]pyrimidine-2-carboxamide
• IUPAC Traditional name: N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]imidazo[1,2-a]pyrimidine-2-carboxamide
• Synonyms: N-[2-(dimethylamino)-5,6,7,8-tetrahydro-5-quinazolinyl]imidazo[1,2-a]pyrimidine-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.477336
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 0.7107805
• LogD (pH = 7.4): 0.71787184
• Log P: 0.7179631
• Molar Refractivity: 95.8022 cm^3
• Polarizability: 34.46782 Å^3
• Polar Surface Area: 88.31 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 1.4
• LOG S: -4.54
• Polar Surface Area: 88.31 Å^2
• Rotatable Bonds: 2