2-[2-amino-6-(propan-2-yloxy)pyrimidin-4-yl]-2,7-diazaspiro[4.5]decan-6-one

• ChemBase ID: 586538
• Molecular Formular: C15H23N5O2
• Molecular Mass: 305.37542
• Monoisotopic Mass: 305.185175
• SMILES: n1c(N2CC3(C(=O)NCCC3)CC2)cc(nc1N)OC(C)C
• Canonical SMILES: CC(Oc1cc(nc(n1)N)N1CCC2(C1)CCCNC2=O)C
• InChI: InChI=1S/C15H23N5O2/c1-10(2)22-12-8-11(18-14(16)19-12)20-7-5-15(9-20)4-3-6-17-13(15)21/h8,10H,3-7,9H2,1-2H3,(H,17,21)(H2,16,18,19)
• InChIKey: CXNCNWQAECOHTP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[2-amino-6-(propan-2-yloxy)pyrimidin-4-yl]-2,7-diazaspiro[4.5]decan-6-one
• IUPAC Traditional name: 2-(2-amino-6-isopropoxypyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one
• Synonyms: 2-(2-amino-6-isopropoxy-4-pyrimidinyl)-2,7-diazaspiro[4.5]decan-6-one

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.657876
• H Acceptors: 6
• H Donor: 2
• LogD (pH = 5.5): 0.27047244
• LogD (pH = 7.4): 1.4359196
• Log P: 1.5404991
• Molar Refractivity: 85.7711 cm^3
• Polarizability: 31.541452 Å^3
• Polar Surface Area: 93.37 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 0.76
• LOG S: -2.08
• Polar Surface Area: 93.37 Å^2
• Rotatable Bonds: 3