4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-(propan-2-yloxy)pyrimidin-2-amine

• ChemBase ID: 623685
• Molecular Formular: C13H22N4O2
• Molecular Mass: 266.33938
• Monoisotopic Mass: 266.17427596
• SMILES: n1c(N2C[C@@H](O[C@@H](C2)C)C)cc(nc1N)OC(C)C
• Canonical SMILES: CC(Oc1cc(nc(n1)N)N1C[C@H](C)O[C@@H](C1)C)C
• InChI: InChI=1S/C13H22N4O2/c1-8(2)18-12-5-11(15-13(14)16-12)17-6-9(3)19-10(4)7-17/h5,8-10H,6-7H2,1-4H3,(H2,14,15,16)/t9-,10+
• InChIKey: GMUJJTJHAHWTGY-AOOOYVTPSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-(propan-2-yloxy)pyrimidin-2-amine
• IUPAC Traditional name: 4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-isopropoxypyrimidin-2-amine
• Synonyms: 4-[(2R*,6S*)-2,6-dimethylmorpholin-4-yl]-6-isopropoxypyrimidin-2-amine

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.339539
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 1.1863985
• LogD (pH = 7.4): 2.3302026
• Log P: 2.4269156
• Molar Refractivity: 75.967 cm^3
• Polarizability: 28.052969 Å^3
• Polar Surface Area: 73.5 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: 3.07
• LOG S: -3.76
• Polar Surface Area: 73.5 Å^2
• Rotatable Bonds: 3