7-[5-fluoro-4-(morpholin-4-yl)pyrimidin-2-yl]-2,7-diazaspiro[4.5]decane

• ChemBase ID: 341672
• Molecular Formular: C16H24FN5O
• Molecular Mass: 321.3930632
• Monoisotopic Mass: 321.19648863
• SMILES: n1c(N2CC3(CNCC3)CCC2)ncc(c1N1CCOCC1)F
• Canonical SMILES: Fc1cnc(nc1N1CCOCC1)N1CCCC2(C1)CNCC2
• InChI: InChI=1S/C16H24FN5O/c17-13-10-19-15(20-14(13)21-6-8-23-9-7-21)22-5-1-2-16(12-22)3-4-18-11-16/h10,18H,1-9,11-12H2
• InChIKey: UMRPRYYETYEUSF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-[5-fluoro-4-(morpholin-4-yl)pyrimidin-2-yl]-2,7-diazaspiro[4.5]decane
• IUPAC Traditional name: 7-[5-fluoro-4-(morpholin-4-yl)pyrimidin-2-yl]-2,7-diazaspiro[4.5]decane
• Synonyms: 7-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-2,7-diazaspiro[4.5]decane

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): -1.7244488
• LogD (pH = 7.4): -1.451603
• Log P: 1.6280025
• Molar Refractivity: 88.6168 cm^3
• Polarizability: 32.657986 Å^3
• Polar Surface Area: 53.52 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.17
• LOG S: -2.39
• Polar Surface Area: 53.52 Å^2
• Rotatable Bonds: 2