2-[(6-{2-methyl-2,7-diazaspiro[4.5]decan-7-yl}pyrimidin-4-yl)amino]ethan-1-ol

• ChemBase ID: 321947
• Molecular Formular: C15H25N5O
• Molecular Mass: 291.3919
• Monoisotopic Mass: 291.20591045
• SMILES: c1(N2CC3(CN(CC3)C)CCC2)cc(ncn1)NCCO
• Canonical SMILES: OCCNc1ncnc(c1)N1CCCC2(C1)CCN(C2)C
• InChI: InChI=1S/C15H25N5O/c1-19-7-4-15(10-19)3-2-6-20(11-15)14-9-13(16-5-8-21)17-12-18-14/h9,12,21H,2-8,10-11H2,1H3,(H,16,17,18)
• InChIKey: GSVXMKBUKWABQS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(6-{2-methyl-2,7-diazaspiro[4.5]decan-7-yl}pyrimidin-4-yl)amino]ethan-1-ol
• IUPAC Traditional name: 2-[(6-{2-methyl-2,7-diazaspiro[4.5]decan-7-yl}pyrimidin-4-yl)amino]ethanol
• Synonyms: 2-{[6-(2-methyl-2,7-diazaspiro[4.5]dec-7-yl)pyrimidin-4-yl]amino}ethanol

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.58568
• H Acceptors: 6
• H Donor: 2
• LogD (pH = 5.5): -3.8225627
• LogD (pH = 7.4): -1.0772413
• Log P: 0.6771528
• Molar Refractivity: 87.0456 cm^3
• Polarizability: 31.75971 Å^3
• Polar Surface Area: 64.52 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 1.69
• LOG S: -1.76
• Polar Surface Area: 64.52 Å^2
• Rotatable Bonds: 4