N-[2-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)ethyl]-4-ethyl-5-methyl-3H-1λ4-pyrimidin-2-amine

• ChemBase ID: 526177
• Molecular Formular: C15H22N5O
• Molecular Mass: 288.36808
• Monoisotopic Mass: 288.18243535
• SMILES: n1c(onc1CCNC1=[N]=CC(=C(N1)CC)C)C1CCC1
• Canonical SMILES: CCC1=C(C)C=[N]=C(N1)NCCc1noc(n1)C1CCC1
• InChI: InChI=1S/C15H22N5O/c1-3-12-10(2)9-17-15(18-12)16-8-7-13-19-14(21-20-13)11-5-4-6-11/h9,11,16,18H,3-8H2,1-2H3
• InChIKey: KXRNOVQALKSBCI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)ethyl]-4-ethyl-5-methyl-3H-1λ^4-pyrimidin-2-amine
• IUPAC Traditional name: N-[2-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)ethyl]-4-ethyl-5-methyl-3H-1λ^4-pyrimidin-2-amine
• Synonyms: N-[2-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)ethyl]-4-ethyl-5-methylpyrimidin-2-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 0
• H Donor: 0
• Molar Refractivity: 93.8274 cm^3
• Polar Surface Area: 62.98 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: false

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 2.46
• LOG S: -4.52
• Polar Surface Area: 76.73 Å^2
• Rotatable Bonds: 6