2-(2-aminopyrimidin-5-yl)-6-methoxy-N,N-bis(propan-2-yl)benzamide

• ChemBase ID: 660961
• Molecular Formular: C18H24N4O2
• Molecular Mass: 328.40876
• Monoisotopic Mass: 328.18992603
• SMILES: C(=O)(c1c(c2cnc(nc2)N)cccc1OC)N(C(C)C)C(C)C
• Canonical SMILES: COc1cccc(c1C(=O)N(C(C)C)C(C)C)c1cnc(nc1)N
• InChI: InChI=1S/C18H24N4O2/c1-11(2)22(12(3)4)17(23)16-14(7-6-8-15(16)24-5)13-9-20-18(19)21-10-13/h6-12H,1-5H3,(H2,19,20,21)
• InChIKey: LHIJCXMOXGSFNT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-aminopyrimidin-5-yl)-6-methoxy-N,N-bis(propan-2-yl)benzamide
• IUPAC Traditional name: 2-(2-aminopyrimidin-5-yl)-N,N-diisopropyl-6-methoxybenzamide
• Synonyms: 2-(2-aminopyrimidin-5-yl)-N,N-diisopropyl-6-methoxybenzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.521461
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 2.2324224
• LogD (pH = 7.4): 2.2338893
• Log P: 2.233908
• Molar Refractivity: 96.1747 cm^3
• Polarizability: 37.03009 Å^3
• Polar Surface Area: 81.34 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.0
• LOG S: -3.3
• Polar Surface Area: 81.34 Å^2
• Rotatable Bonds: 5