N-ethyl-2-{2-methyl-2,7-diazaspiro[4.5]decan-7-yl}pyrimidin-4-amine

• ChemBase ID: 607362
• Molecular Formular: C15H25N5
• Molecular Mass: 275.3925
• Monoisotopic Mass: 275.21099583
• SMILES: c1(nc(ccn1)NCC)N1CC2(CN(CC2)C)CCC1
• Canonical SMILES: CCNc1ccnc(n1)N1CCCC2(C1)CCN(C2)C
• InChI: InChI=1S/C15H25N5/c1-3-16-13-5-8-17-14(18-13)20-9-4-6-15(12-20)7-10-19(2)11-15/h5,8H,3-4,6-7,9-12H2,1-2H3,(H,16,17,18)
• InChIKey: UOLFGSBUCKKPDV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-ethyl-2-{2-methyl-2,7-diazaspiro[4.5]decan-7-yl}pyrimidin-4-amine
• IUPAC Traditional name: N-ethyl-2-{2-methyl-2,7-diazaspiro[4.5]decan-7-yl}pyrimidin-4-amine
• Synonyms: N-ethyl-2-(2-methyl-2,7-diazaspiro[4.5]dec-7-yl)pyrimidin-4-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -2.42751
• LogD (pH = 7.4): 0.16842788
• Log P: 1.8083912
• Molar Refractivity: 85.1344 cm^3
• Polarizability: 31.138298 Å^3
• Polar Surface Area: 44.29 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.4
• LOG S: -3.1
• Polar Surface Area: 44.29 Å^2
• Rotatable Bonds: 3