7-methyl-2-[2-(propan-2-yl)pyrimidine-4-carbonyl]-2,7-diazaspiro[4.5]decan-6-one

• ChemBase ID: 318146
• Molecular Formular: C17H24N4O2
• Molecular Mass: 316.39806
• Monoisotopic Mass: 316.18992603
• SMILES: C12(C(=O)N(CCC2)C)CN(C(=O)c2nc(ncc2)C(C)C)CC1
• Canonical SMILES: CN1CCCC2(C1=O)CCN(C2)C(=O)c1ccnc(n1)C(C)C
• InChI: InChI=1S/C17H24N4O2/c1-12(2)14-18-8-5-13(19-14)15(22)21-10-7-17(11-21)6-4-9-20(3)16(17)23/h5,8,12H,4,6-7,9-11H2,1-3H3
• InChIKey: CQRZVBQDNVQXNU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-methyl-2-[2-(propan-2-yl)pyrimidine-4-carbonyl]-2,7-diazaspiro[4.5]decan-6-one
• IUPAC Traditional name: 2-(2-isopropylpyrimidine-4-carbonyl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one
• Synonyms: 2-[(2-isopropyl-4-pyrimidinyl)carbonyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.3814999
• LogD (pH = 7.4): 1.38151
• Log P: 1.3815101
• Molar Refractivity: 87.6608 cm^3
• Polarizability: 33.177982 Å^3
• Polar Surface Area: 66.4 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 0.25
• LOG S: -3.03
• Polar Surface Area: 66.4 Å^2
• Rotatable Bonds: 2