3-methyl-7-{6-[(propan-2-yl)amino]pyrimidin-4-yl}-1-oxa-3,7-diazaspiro[4.5]decan-2-one

• ChemBase ID: 354391
• Molecular Formular: C15H23N5O2
• Molecular Mass: 305.37542
• Monoisotopic Mass: 305.185175
• SMILES: C1(=O)N(CC2(O1)CN(c1cc(ncn1)NC(C)C)CCC2)C
• Canonical SMILES: CC(Nc1ncnc(c1)N1CCCC2(C1)OC(=O)N(C2)C)C
• InChI: InChI=1S/C15H23N5O2/c1-11(2)18-12-7-13(17-10-16-12)20-6-4-5-15(9-20)8-19(3)14(21)22-15/h7,10-11H,4-6,8-9H2,1-3H3,(H,16,17,18)
• InChIKey: GEYIXYSFFDDBHN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methyl-7-{6-[(propan-2-yl)amino]pyrimidin-4-yl}-1-oxa-3,7-diazaspiro[4.5]decan-2-one
• IUPAC Traditional name: 7-[6-(isopropylamino)pyrimidin-4-yl]-3-methyl-1-oxa-3,7-diazaspiro[4.5]decan-2-one
• Synonyms: 7-[6-(isopropylamino)-4-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): 0.21764301
• LogD (pH = 7.4): 1.5025036
• Log P: 1.6754938
• Molar Refractivity: 86.1848 cm^3
• Polarizability: 31.54909 Å^3
• Polar Surface Area: 70.59 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.39
• LOG S: -3.47
• Polar Surface Area: 70.59 Å^2
• Rotatable Bonds: 3