5-{1-oxa-7-azaspiro[3.5]nonane-7-carbonyl}-N-(propan-2-yl)pyrimidin-2-amine

• ChemBase ID: 421876
• Molecular Formular: C15H22N4O2
• Molecular Mass: 290.36078
• Monoisotopic Mass: 290.17427596
• SMILES: C(=O)(N1CCC2(OCC2)CC1)c1cnc(nc1)NC(C)C
• Canonical SMILES: CC(Nc1ncc(cn1)C(=O)N1CCC2(CC1)CCO2)C
• InChI: InChI=1S/C15H22N4O2/c1-11(2)18-14-16-9-12(10-17-14)13(20)19-6-3-15(4-7-19)5-8-21-15/h9-11H,3-8H2,1-2H3,(H,16,17,18)
• InChIKey: UYNOVWAQPANRTA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-{1-oxa-7-azaspiro[3.5]nonane-7-carbonyl}-N-(propan-2-yl)pyrimidin-2-amine
• IUPAC Traditional name: N-isopropyl-5-{1-oxa-7-azaspiro[3.5]nonane-7-carbonyl}pyrimidin-2-amine
• Synonyms: N-isopropyl-5-(1-oxa-7-azaspiro[3.5]non-7-ylcarbonyl)pyrimidin-2-amine

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.869964
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.04598341
• LogD (pH = 7.4): 0.04606358
• Log P: 0.046064615
• Molar Refractivity: 82.1628 cm^3
• Polarizability: 30.19616 Å^3
• Polar Surface Area: 67.35 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: -2.09
• Polar Surface Area: 67.35 Å^2
• Rotatable Bonds: 3