(4S)-4-[2,4-difluoro-5-(pyrimidin-5-yl)phenyl]-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine

• ChemBase ID: 312756
• Molecular Formular: C15H14F2N4S
• Molecular Mass: 320.3602664
• Monoisotopic Mass: 320.09072391
• SMILES: c1ncc(cn1)c1c(cc(c(c1)[C@]1(N=C(SCC1)N)C)F)F
• Canonical SMILES: NC1=N[C@](CCS1)(C)c1cc(c2cncnc2)c(cc1F)F
• InChI: InChI=1S/C15H14F2N4S/c1-15(2-3-22-14(18)21-15)11-4-10(12(16)5-13(11)17)9-6-19-8-20-7-9/h4-8H,2-3H2,1H3,(H2,18,21)/t15-/m0/s1
• InChIKey: MJQMRGWYPNIERM-HNNXBMFYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4S)-4-[2,4-difluoro-5-(pyrimidin-5-yl)phenyl]-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
• IUPAC Traditional name: (4S)-4-[2,4-difluoro-5-(pyrimidin-5-yl)phenyl]-4-methyl-5,6-dihydro-1,3-thiazin-2-amine
• Synonyms: LY 2811376; LY2811376

Database IDs

• CAS Number: 1194044-20-6

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.24952275
• LogD (pH = 7.4): 1.6128798
• Log P: 2.4957292
• Molar Refractivity: 83.561 cm^3
• Polarizability: 32.244225 Å^3
• Polar Surface Area: 64.16 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Pharmacology Properties

• Target: 5-alpha Reductase

Product Information

• Salt Data: Free Base