8-(2-cyclopropylpyrimidine-5-carbonyl)-2-ethyl-2,8-diazaspiro[5.5]undecan-3-one

• ChemBase ID: 470666
• Molecular Formular: C19H26N4O2
• Molecular Mass: 342.43534
• Monoisotopic Mass: 342.20557609
• SMILES: N1(C(=O)c2cnc(nc2)C2CC2)CC2(CN(C(=O)CC2)CC)CCC1
• Canonical SMILES: CCN1CC2(CCCN(C2)C(=O)c2cnc(nc2)C2CC2)CCC1=O
• InChI: InChI=1S/C19H26N4O2/c1-2-22-12-19(8-6-16(22)24)7-3-9-23(13-19)18(25)15-10-20-17(21-11-15)14-4-5-14/h10-11,14H,2-9,12-13H2,1H3
• InChIKey: BPJKDJZBQPDOQO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-(2-cyclopropylpyrimidine-5-carbonyl)-2-ethyl-2,8-diazaspiro[5.5]undecan-3-one
• IUPAC Traditional name: 8-(2-cyclopropylpyrimidine-5-carbonyl)-2-ethyl-2,8-diazaspiro[5.5]undecan-3-one
• Synonyms: 8-[(2-cyclopropyl-5-pyrimidinyl)carbonyl]-2-ethyl-2,8-diazaspiro[5.5]undecan-3-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.98245716
• LogD (pH = 7.4): 0.9824641
• Log P: 0.9824642
• Molar Refractivity: 95.3744 cm^3
• Polarizability: 36.125057 Å^3
• Polar Surface Area: 66.4 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: -0.07
• LOG S: -2.95
• Polar Surface Area: 66.4 Å^2
• Rotatable Bonds: 3