2-[4-(ethylamino)pyrimidin-2-yl]-N,N-bis(propan-2-yl)benzamide

• ChemBase ID: 321585
• Molecular Formular: C19H26N4O
• Molecular Mass: 326.43594
• Monoisotopic Mass: 326.21066147
• SMILES: C(=O)(c1c(c2nc(ccn2)NCC)cccc1)N(C(C)C)C(C)C
• Canonical SMILES: CCNc1ccnc(n1)c1ccccc1C(=O)N(C(C)C)C(C)C
• InChI: InChI=1S/C19H26N4O/c1-6-20-17-11-12-21-18(22-17)15-9-7-8-10-16(15)19(24)23(13(2)3)14(4)5/h7-14H,6H2,1-5H3,(H,20,21,22)
• InChIKey: UXBPBLUOGIPETO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[4-(ethylamino)pyrimidin-2-yl]-N,N-bis(propan-2-yl)benzamide
• IUPAC Traditional name: 2-[4-(ethylamino)pyrimidin-2-yl]-N,N-diisopropylbenzamide
• Synonyms: 2-[4-(ethylamino)pyrimidin-2-yl]-N,N-diisopropylbenzamide

CALCULATED PROPERTIES

供应商提供(Chembridge)

• Log P: 1.65
• LOG S: -2.99
• Polar Surface Area: 58.12 Å^2
• Rotatable Bonds: 6
• H Acceptors: 3
• H Donor: 1

JChem

• Molar Refractivity: 110.5959 cm^3
• Polarizability: 37.525066 Å^3
• Polar Surface Area: 58.12 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 3.603115
• LogD (pH = 7.4): 3.6988647
• Log P: 3.7002378