2-(4-methylpyrimidin-2-yl)-2,7-diazaspiro[4.5]decane

• ChemBase ID: 691349
• Molecular Formular: C13H20N4
• Molecular Mass: 232.3247
• Monoisotopic Mass: 232.16879666
• SMILES: c1(N2CC3(CC2)CNCCC3)nc(ccn1)C
• Canonical SMILES: Cc1ccnc(n1)N1CCC2(C1)CCCNC2
• InChI: InChI=1S/C13H20N4/c1-11-3-7-15-12(16-11)17-8-5-13(10-17)4-2-6-14-9-13/h3,7,14H,2,4-6,8-10H2,1H3
• InChIKey: YHOVLQAKQLNDTC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-methylpyrimidin-2-yl)-2,7-diazaspiro[4.5]decane
• IUPAC Traditional name: 2-(4-methylpyrimidin-2-yl)-2,7-diazaspiro[4.5]decane
• Synonyms: 2-(4-methylpyrimidin-2-yl)-2,7-diazaspiro[4.5]decane

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.1075053
• LogD (pH = 7.4): -1.4383563
• Log P: 1.1326699
• Molar Refractivity: 69.1753 cm^3
• Polarizability: 26.241873 Å^3
• Polar Surface Area: 41.05 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.06
• LOG S: -1.65
• Polar Surface Area: 41.05 Å^2
• Rotatable Bonds: 1