5-[(2R,5S)-5-methyl-4-propylmorpholin-2-yl]pyridin-2-amine

• ChemBase ID: 128905
• Molecular Formular: C13H21N3O
• Molecular Mass: 235.32534
• Monoisotopic Mass: 235.16846231
• SMILES: CCCN1[C@@H](C)CO[C@@H](C1)c1cnc(N)cc1
• Canonical SMILES: CCCN1C[C@H](OC[C@@H]1C)c1ccc(nc1)N
• InChI: InChI=1S/C13H21N3O/c1-3-6-16-8-12(17-9-10(16)2)11-4-5-13(14)15-7-11/h4-5,7,10,12H,3,6,8-9H2,1-2H3,(H2,14,15)/t10-,12-/m0/s1
• InChIKey: DFTCYTDJDXZFSK-JQWIXIFHSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-[(2R,5S)-5-methyl-4-propylmorpholin-2-yl]pyridin-2-amine
• IUPAC Traditional name: 5-[(2R,5S)-5-methyl-4-propylmorpholin-2-yl]pyridin-2-amine
• Synonyms: PF-592,379

Database IDs

• PubChem SID: 162223207
• PubChem CID: 10263487
• Wikipedia Title: PF-592,379

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.4477391
• LogD (pH = 7.4): 1.2620201
• Log P: 1.5996737
• Molar Refractivity: 69.8938 cm^3
• Polarizability: 26.785439 Å^3
• Polar Surface Area: 51.38 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Pharmacology Properties

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