5-{[8-(6-methylpyridin-2-yl)-1,8-diazaspiro[4.5]decan-1-yl]methyl}-N-propylpyrimidin-2-amine

• ChemBase ID: 745549
• Molecular Formular: C22H32N6
• Molecular Mass: 380.52968
• Monoisotopic Mass: 380.26884505
• SMILES: N1(C2(CCN(c3nc(ccc3)C)CC2)CCC1)Cc1cnc(nc1)NCCC
• Canonical SMILES: CCCNc1ncc(cn1)CN1CCCC21CCN(CC2)c1cccc(n1)C
• InChI: InChI=1S/C22H32N6/c1-3-11-23-21-24-15-19(16-25-21)17-28-12-5-8-22(28)9-13-27(14-10-22)20-7-4-6-18(2)26-20/h4,6-7,15-16H,3,5,8-14,17H2,1-2H3,(H,23,24,25)
• InChIKey: NOUIREPWKDPGCT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-{[8-(6-methylpyridin-2-yl)-1,8-diazaspiro[4.5]decan-1-yl]methyl}-N-propylpyrimidin-2-amine
• IUPAC Traditional name: 5-{[8-(6-methylpyridin-2-yl)-1,8-diazaspiro[4.5]decan-1-yl]methyl}-N-propylpyrimidin-2-amine
• Synonyms: 5-{[8-(6-methyl-2-pyridinyl)-1,8-diazaspiro[4.5]dec-1-yl]methyl}-N-propyl-2-pyrimidinamine

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.871942
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): -1.5628673
• LogD (pH = 7.4): 1.3257601
• Log P: 2.7776744
• Molar Refractivity: 116.8057 cm^3
• Polarizability: 43.44735 Å^3
• Polar Surface Area: 57.18 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.85
• LOG S: -3.4
• Polar Surface Area: 57.18 Å^2
• Rotatable Bonds: 6