4-[4-(4-cyclopropanecarbonylpiperazin-1-yl)-6-methylpyrimidin-2-yl]morpholine

• ChemBase ID: 858630
• Molecular Formular: C17H25N5O2
• Molecular Mass: 331.4127
• Monoisotopic Mass: 331.20082507
• SMILES: n1c(nc(cc1N1CCN(C(=O)C2CC2)CC1)C)N1CCOCC1
• Canonical SMILES: O=C(N1CCN(CC1)c1cc(C)nc(n1)N1CCOCC1)C1CC1
• InChI: InChI=1S/C17H25N5O2/c1-13-12-15(19-17(18-13)22-8-10-24-11-9-22)20-4-6-21(7-5-20)16(23)14-2-3-14/h12,14H,2-11H2,1H3
• InChIKey: UGKKOVODXSNNPR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[4-(4-cyclopropanecarbonylpiperazin-1-yl)-6-methylpyrimidin-2-yl]morpholine
• IUPAC Traditional name: 4-[4-(4-cyclopropanecarbonylpiperazin-1-yl)-6-methylpyrimidin-2-yl]morpholine
• Synonyms: 4-{4-[4-(cyclopropylcarbonyl)piperazin-1-yl]-6-methylpyrimidin-2-yl}morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): -0.4010441
• LogD (pH = 7.4): 0.91190845
• Log P: 1.3057466
• Molar Refractivity: 93.2255 cm^3
• Polarizability: 34.427597 Å^3
• Polar Surface Area: 61.8 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: -0.17
• LOG S: -2.78
• Polar Surface Area: 61.8 Å^2
• Rotatable Bonds: 3