ethyl 4-[2-methyl-6-(propan-2-yl)pyrimidin-4-yl]piperazine-1-carboxylate

• ChemBase ID: 738256
• Molecular Formular: C15H24N4O2
• Molecular Mass: 292.37666
• Monoisotopic Mass: 292.18992603
• SMILES: c1(nc(nc(c1)C(C)C)C)N1CCN(C(=O)OCC)CC1
• Canonical SMILES: CCOC(=O)N1CCN(CC1)c1cc(nc(n1)C)C(C)C
• InChI: InChI=1S/C15H24N4O2/c1-5-21-15(20)19-8-6-18(7-9-19)14-10-13(11(2)3)16-12(4)17-14/h10-11H,5-9H2,1-4H3
• InChIKey: FVXBDFDSNXWSTQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 4-[2-methyl-6-(propan-2-yl)pyrimidin-4-yl]piperazine-1-carboxylate
• IUPAC Traditional name: ethyl 4-(6-isopropyl-2-methylpyrimidin-4-yl)piperazine-1-carboxylate
• Synonyms: ethyl 4-(6-isopropyl-2-methylpyrimidin-4-yl)piperazine-1-carboxylate

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.7006018
• LogD (pH = 7.4): 2.7955797
• Log P: 2.867369
• Molar Refractivity: 82.5752 cm^3
• Polarizability: 30.968088 Å^3
• Polar Surface Area: 58.56 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.52
• LOG S: -3.48
• Polar Surface Area: 58.56 Å^2
• Rotatable Bonds: 4