7-(4-amino-5-methylpyrimidin-2-yl)-3-methyl-1-oxa-3,7-diazaspiro[4.5]decan-2-one

• ChemBase ID: 834892
• Molecular Formular: C13H19N5O2
• Molecular Mass: 277.32226
• Monoisotopic Mass: 277.15387487
• SMILES: n1c(N2CC3(OC(=O)N(C3)C)CCC2)ncc(c1N)C
• Canonical SMILES: O=C1OC2(CN1C)CCCN(C2)c1ncc(c(n1)N)C
• InChI: InChI=1S/C13H19N5O2/c1-9-6-15-11(16-10(9)14)18-5-3-4-13(8-18)7-17(2)12(19)20-13/h6H,3-5,7-8H2,1-2H3,(H2,14,15,16)
• InChIKey: QCGPIGFXZGNVEN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-(4-amino-5-methylpyrimidin-2-yl)-3-methyl-1-oxa-3,7-diazaspiro[4.5]decan-2-one
• IUPAC Traditional name: 7-(4-amino-5-methylpyrimidin-2-yl)-3-methyl-1-oxa-3,7-diazaspiro[4.5]decan-2-one
• Synonyms: 7-(4-amino-5-methyl-2-pyrimidinyl)-3-methyl-1-oxa-3,7-diazaspiro[4.5]decan-2-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.060072638
• LogD (pH = 7.4): 1.0891731
• Log P: 1.1981566
• Molar Refractivity: 76.1977 cm^3
• Polarizability: 27.81799 Å^3
• Polar Surface Area: 84.58 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.69
• LOG S: -2.67
• Polar Surface Area: 84.58 Å^2
• Rotatable Bonds: 1