{4-[(2-tert-butylpyrimidin-5-yl)methyl]morpholin-2-yl}methanamine

• ChemBase ID: 865869
• Molecular Formular: C14H24N4O
• Molecular Mass: 264.36656
• Monoisotopic Mass: 264.19501141
• SMILES: c1(ncc(CN2CC(OCC2)CN)cn1)C(C)(C)C
• Canonical SMILES: NCC1OCCN(C1)Cc1cnc(nc1)C(C)(C)C
• InChI: InChI=1S/C14H24N4O/c1-14(2,3)13-16-7-11(8-17-13)9-18-4-5-19-12(6-15)10-18/h7-8,12H,4-6,9-10,15H2,1-3H3
• InChIKey: WPBSGOUNBMJAAR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {4-[(2-tert-butylpyrimidin-5-yl)methyl]morpholin-2-yl}methanamine
• IUPAC Traditional name: {4-[(2-tert-butylpyrimidin-5-yl)methyl]morpholin-2-yl}methanamine
• Synonyms: ({4-[(2-tert-butylpyrimidin-5-yl)methyl]morpholin-2-yl}methyl)amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -2.0487254
• LogD (pH = 7.4): -0.78983
• Log P: 1.2313789
• Molar Refractivity: 76.2863 cm^3
• Polarizability: 29.88835 Å^3
• Polar Surface Area: 64.27 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: -0.55
• LOG S: 0.35
• Polar Surface Area: 64.27 Å^2
• Rotatable Bonds: 4