2-[(2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)amino]-N,N-dimethyl-2-phenylacetamide

• ChemBase ID: 476029
• Molecular Formular: C18H23N5O
• Molecular Mass: 325.40812
• Monoisotopic Mass: 325.19026038
• SMILES: c1(nc(nc2c1CCCC2)N)NC(C(=O)N(C)C)c1ccccc1
• Canonical SMILES: O=C(C(c1ccccc1)Nc1nc(N)nc2c1CCCC2)N(C)C
• InChI: InChI=1S/C18H23N5O/c1-23(2)17(24)15(12-8-4-3-5-9-12)21-16-13-10-6-7-11-14(13)20-18(19)22-16/h3-5,8-9,15H,6-7,10-11H2,1-2H3,(H3,19,20,21,22)
• InChIKey: OJPRQILKZCCCSE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)amino]-N,N-dimethyl-2-phenylacetamide
• IUPAC Traditional name: 2-[(2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)amino]-N,N-dimethyl-2-phenylacetamide
• Synonyms: 2-[(2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)amino]-N,N-dimethyl-2-phenylacetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.719334
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 0.668919
• LogD (pH = 7.4): 1.991144
• Log P: 2.3478236
• Molar Refractivity: 96.9925 cm^3
• Polarizability: 35.460236 Å^3
• Polar Surface Area: 84.14 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 2.75
• LOG S: -3.83
• Polar Surface Area: 84.14 Å^2
• Rotatable Bonds: 4