N-[2-(4,6-dimethyl-2-oxo-1,2-dihydropyrimidin-1-yl)ethyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide

• ChemBase ID: 330814
• Molecular Formular: C18H29N5O2
• Molecular Mass: 347.45516
• Monoisotopic Mass: 347.23212519
• SMILES: c1(=O)n(c(cc(n1)C)C)CCNC(=O)C1N(CC2(C1)CCNCC2)C
• Canonical SMILES: CN1CC2(CC1C(=O)NCCn1c(C)cc(nc1=O)C)CCNCC2
• InChI: InChI=1S/C18H29N5O2/c1-13-10-14(2)23(17(25)21-13)9-8-20-16(24)15-11-18(12-22(15)3)4-6-19-7-5-18/h10,15,19H,4-9,11-12H2,1-3H3,(H,20,24)
• InChIKey: RRBCVOMCRMRMBJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(4,6-dimethyl-2-oxo-1,2-dihydropyrimidin-1-yl)ethyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide
• IUPAC Traditional name: N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide
• Synonyms: N-[2-(4,6-dimethyl-2-oxo-1(2H)-pyrimidinyl)ethyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.561373
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -6.7820354
• LogD (pH = 7.4): -4.5348086
• Log P: -0.8304381
• Molar Refractivity: 98.4799 cm^3
• Polarizability: 37.660706 Å^3
• Polar Surface Area: 77.04 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: -1.3
• LOG S: -1.93
• Polar Surface Area: 79.26 Å^2
• Rotatable Bonds: 4