8-(6-aminopyrimidin-4-yl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one

• ChemBase ID: 641267
• Molecular Formular: C19H24N6O
• Molecular Mass: 352.43346
• Monoisotopic Mass: 352.20115942
• SMILES: N1(C(=O)CCC2(C1)CN(c1cc(ncn1)N)CCC2)Cc1cnccc1
• Canonical SMILES: O=C1CCC2(CN1Cc1cccnc1)CCCN(C2)c1ncnc(c1)N
• InChI: InChI=1S/C19H24N6O/c20-16-9-17(23-14-22-16)24-8-2-5-19(12-24)6-4-18(26)25(13-19)11-15-3-1-7-21-10-15/h1,3,7,9-10,14H,2,4-6,8,11-13H2,(H2,20,22,23)
• InChIKey: RRPYIPDDZLSVTO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-(6-aminopyrimidin-4-yl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
• IUPAC Traditional name: 8-(6-aminopyrimidin-4-yl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
• Synonyms: 8-(6-aminopyrimidin-4-yl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): -0.5435992
• LogD (pH = 7.4): 0.84837484
• Log P: 1.06502
• Molar Refractivity: 101.9421 cm^3
• Polarizability: 37.67676 Å^3
• Polar Surface Area: 88.24 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.63
• LOG S: -1.01
• Polar Surface Area: 88.24 Å^2
• Rotatable Bonds: 3