N-{3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl}-5,6-dimethylpyrimidin-4-amine

• ChemBase ID: 569410
• Molecular Formular: C15H26N4O
• Molecular Mass: 278.39314
• Monoisotopic Mass: 278.21066147
• SMILES: c1(c(ncnc1C)NCCCN1C[C@H](O[C@H](C1)C)C)C
• Canonical SMILES: C[C@@H]1CN(CCCNc2ncnc(c2C)C)C[C@@H](O1)C
• InChI: InChI=1S/C15H26N4O/c1-11-8-19(9-12(2)20-11)7-5-6-16-15-13(3)14(4)17-10-18-15/h10-12H,5-9H2,1-4H3,(H,16,17,18)/t11-,12+
• InChIKey: MYNFKOAKTGBPSA-TXEJJXNPSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl}-5,6-dimethylpyrimidin-4-amine
• IUPAC Traditional name: N-{3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl}-5,6-dimethylpyrimidin-4-amine
• Synonyms: N-{3-[(2R*,6S*)-2,6-dimethylmorpholin-4-yl]propyl}-5,6-dimethylpyrimidin-4-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -1.1605023
• LogD (pH = 7.4): 1.003352
• Log P: 1.4550165
• Molar Refractivity: 83.6589 cm^3
• Polarizability: 31.26597 Å^3
• Polar Surface Area: 50.28 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.23
• LOG S: -1.33
• Polar Surface Area: 50.28 Å^2
• Rotatable Bonds: 5