(4aR,6R,8aS)-8a-(2,4-difluorophenyl)-6-(2-methylpyrimidin-4-yl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine;(4aR,6R,8aS)-8a-(2,4-difluorophenyl)-6-(4-methylpyrimidin-2-yl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine;(4aR,6R,8aS)-8a-(2,4-difluorophenyl)-6-(5-methylpyrimidin-2-yl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine;(4aR,6R,8aS)-8a-(2,4-difluorophenyl)-6-pyridin-2-yl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine;(4aR,6R,8aS)-8a-(2,4-difluorophenyl)-6-pyrimidin-2-yl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine

C89H87F10N19O5S5 — CID 160691509

About (4aR,6R,8aS)-8a-(2,4-difluorophenyl)-6-(2-methylpyrimidin-4-yl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine;(4aR,6R,8aS)-8a-(2,4-difluorophenyl)-6-(4-methylpyrimidin-2-yl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine;(4aR,6R,8aS)-8a-(2,4-difluorophenyl)-6-(5-methylpyrimidin-2-yl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine;(4aR,6R,8aS)-8a-(2,4-difluorophenyl)-6-pyridin-2-yl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine;(4aR,6R,8aS)-8a-(2,4-difluorophenyl)-6-pyrimidin-2-yl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine

(4aR,6R,8aS)-8a-(2,4-difluorophenyl)-6-(2-methylpyrimidin-4-yl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine;(4aR,6R,8aS)-8a-(2,4-difluorophenyl)-6-(4-methylpyrimidin-2-yl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine;(4aR,6R,8aS)-8a-(2,4-difluorophenyl)-6-(5-methylpyrimidin-2-yl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine;(4aR,6R,8aS)-8a-(2,4-difluorophenyl)-6-pyridin-2-yl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine;(4aR,6R,8aS)-8a-(2,4-difluorophenyl)-6-pyrimidin-2-yl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine (PubChem CID 160691509) has the molecular formula C89H87F10N19O5S5 and a molecular weight of 1853.12 g/mol. Its IUPAC name is (4aR,6R,8aS)-8a-(2,4-difluorophenyl)-6-(2-methylpyrimidin-4-yl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine;(4aR,6R,8aS)-8a-(2,4-difluorophenyl)-6-(4-methylpyrimidin-2-yl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine;(4aR,6R,8aS)-8a-(2,4-difluorophenyl)-6-(5-methylpyrimidin-2-yl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine;(4aR,6R,8aS)-8a-(2,4-difluorophenyl)-6-pyridin-2-yl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine;(4aR,6R,8aS)-8a-(2,4-difluorophenyl)-6-pyrimidin-2-yl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine.

Molecular Properties

• Compound Name: (4aR,6R,8aS)-8a-(2,4-difluorophenyl)-6-(2-methylpyrimidin-4-yl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine;(4aR,6R,8aS)-8a-(2,4-difluorophenyl)-6-(4-methylpyrimidin-2-yl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine;(4aR,6R,8aS)-8a-(2,4-difluorophenyl)-6-(5-methylpyrimidin-2-yl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine;(4aR,6R,8aS)-8a-(2,4-difluorophenyl)-6-pyridin-2-yl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine;(4aR,6R,8aS)-8a-(2,4-difluorophenyl)-6-pyrimidin-2-yl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine
• PubChem CID: 160691509
• Molecular Formula: C89H87F10N19O5S5
• Molecular Weight: 1853.12 g/mol
• Exact Mass: 1851.56
• IUPAC Name: (4aR,6R,8aS)-8a-(2,4-difluorophenyl)-6-(2-methylpyrimidin-4-yl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine;(4aR,6R,8aS)-8a-(2,4-difluorophenyl)-6-(4-methylpyrimidin-2-yl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine;(4aR,6R,8aS)-8a-(2,4-difluorophenyl)-6-(5-methylpyrimidin-2-yl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine;(4aR,6R,8aS)-8a-(2,4-difluorophenyl)-6-pyridin-2-yl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine;(4aR,6R,8aS)-8a-(2,4-difluorophenyl)-6-pyrimidin-2-yl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine
• SMILES: Cc1ccnc([C@H]2C[C@H]3CSC(N)=N[C@@]3(c3ccc(F)cc3F)CO2)n1.Cc1cnc([C@H]2C[C@H]3CSC(N)=N[C@@]3(c3ccc(F)cc3F)CO2)nc1.Cc1nccc([C@H]2C[C@H]3CSC(N)=N[C@@]3(c3ccc(F)cc3F)CO2)n1.NC1=N[C@@]2(c3ccc(F)cc3F)CO[C@@H](c3ccccn3)C[C@H]2CS1.NC1=N[C@@]2(c3ccc(F)cc3F)CO[C@@H](c3ncccn3)C[C@H]2CS1
• InChI: InChI=1S/3C18H18F2N4OS.C18H17F2N3OS.C17H16F2N4OS/c1-10-6-22-16(23-7-10)15-4-11-8-26-17(21)24-18(11,9-25-15)13-3-2-12(19)5-14(13)20;1-10-22-5-4-15(23-10)16-6-11-8-26-17(21)24-18(11,9-25-16)13-3-2-12(19)7-14(13)20;1-10-4-5-22-16(23-10)15-6-11-8-26-17(21)24-18(11,9-25-15)13-3-2-12(19)7-14(13)20;19-12-4-5-13(14(20)8-12)18-10-24-16(15-3-1-2-6-22-15)7-11(18)9-25-17(21)23-18;18-11-2-3-12(13(19)7-11)17-9-24-14(15-21-4-1-5-22-15)6-10(17)8-25-16(20)23-17/h2-3,5-7,11,15H,4,8-9H2,1H3,(H2,21,24);2-5,7,11,16H,6,8-9H2,1H3,(H2,21,24);2-5,7,11,15H,6,8-9H2,1H3,(H2,21,24);1-6,8,11,16H,7,9-10H2,(H2,21,23);1-5,7,10,14H,6,8-9H2,(H2,20,23)/t11-,15+,18-;11-,16+,18-;11-,15+,18-;11-,16+,18-;10-,14+,17-/m00000/s1
• InChIKey: RPLQWIGDACUMIN-RCQDVKKGSA-N
• XLogP: 15.48
• TPSA: 354.06 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 29
• Rotatable Bonds: 10
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1853.12
LogP ≤ 5	15.48
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	29

Frequently Asked Questions

What is the IUPAC name of (4aR,6R,8aS)-8a-(2,4-difluorophenyl)-6-(2-methylpyrimidin-4-yl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine;(4aR,6R,8aS)-8a-(2,4-difluorophenyl)-6-(4-methylpyrimidin-2-yl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine;(4aR,6R,8aS)-8a-(2,4-difluorophenyl)-6-(5-methylpyrimidin-2-yl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine;(4aR,6R,8aS)-8a-(2,4-difluorophenyl)-6-pyridin-2-yl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine;(4aR,6R,8aS)-8a-(2,4-difluorophenyl)-6-pyrimidin-2-yl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine?

The IUPAC name of (4aR,6R,8aS)-8a-(2,4-difluorophenyl)-6-(2-methylpyrimidin-4-yl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine;(4aR,6R,8aS)-8a-(2,4-difluorophenyl)-6-(4-methylpyrimidin-2-yl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine;(4aR,6R,8aS)-8a-(2,4-difluorophenyl)-6-(5-methylpyrimidin-2-yl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine;(4aR,6R,8aS)-8a-(2,4-difluorophenyl)-6-pyridin-2-yl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine;(4aR,6R,8aS)-8a-(2,4-difluorophenyl)-6-pyrimidin-2-yl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine (CID 160691509) is (4aR,6R,8aS)-8a-(2,4-difluorophenyl)-6-(2-methylpyrimidin-4-yl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine;(4aR,6R,8aS)-8a-(2,4-difluorophenyl)-6-(4-methylpyrimidin-2-yl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine;(4aR,6R,8aS)-8a-(2,4-difluorophenyl)-6-(5-methylpyrimidin-2-yl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine;(4aR,6R,8aS)-8a-(2,4-difluorophenyl)-6-pyridin-2-yl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine;(4aR,6R,8aS)-8a-(2,4-difluorophenyl)-6-pyrimidin-2-yl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine.

What is the SMILES notation for (4aR,6R,8aS)-8a-(2,4-difluorophenyl)-6-(2-methylpyrimidin-4-yl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine;(4aR,6R,8aS)-8a-(2,4-difluorophenyl)-6-(4-methylpyrimidin-2-yl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine;(4aR,6R,8aS)-8a-(2,4-difluorophenyl)-6-(5-methylpyrimidin-2-yl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine;(4aR,6R,8aS)-8a-(2,4-difluorophenyl)-6-pyridin-2-yl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine;(4aR,6R,8aS)-8a-(2,4-difluorophenyl)-6-pyrimidin-2-yl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine?

The canonical SMILES for (4aR,6R,8aS)-8a-(2,4-difluorophenyl)-6-(2-methylpyrimidin-4-yl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine;(4aR,6R,8aS)-8a-(2,4-difluorophenyl)-6-(4-methylpyrimidin-2-yl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine;(4aR,6R,8aS)-8a-(2,4-difluorophenyl)-6-(5-methylpyrimidin-2-yl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine;(4aR,6R,8aS)-8a-(2,4-difluorophenyl)-6-pyridin-2-yl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine;(4aR,6R,8aS)-8a-(2,4-difluorophenyl)-6-pyrimidin-2-yl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine is Cc1ccnc([C@H]2C[C@H]3CSC(N)=N[C@@]3(c3ccc(F)cc3F)CO2)n1.Cc1cnc([C@H]2C[C@H]3CSC(N)=N[C@@]3(c3ccc(F)cc3F)CO2)nc1.Cc1nccc([C@H]2C[C@H]3CSC(N)=N[C@@]3(c3ccc(F)cc3F)CO2)n1.NC1=N[C@@]2(c3ccc(F)cc3F)CO[C@@H](c3ccccn3)C[C@H]2CS1.NC1=N[C@@]2(c3ccc(F)cc3F)CO[C@@H](c3ncccn3)C[C@H]2CS1.

What is the InChIKey of (4aR,6R,8aS)-8a-(2,4-difluorophenyl)-6-(2-methylpyrimidin-4-yl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine;(4aR,6R,8aS)-8a-(2,4-difluorophenyl)-6-(4-methylpyrimidin-2-yl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine;(4aR,6R,8aS)-8a-(2,4-difluorophenyl)-6-(5-methylpyrimidin-2-yl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine;(4aR,6R,8aS)-8a-(2,4-difluorophenyl)-6-pyridin-2-yl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine;(4aR,6R,8aS)-8a-(2,4-difluorophenyl)-6-pyrimidin-2-yl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine?

The InChIKey is RPLQWIGDACUMIN-RCQDVKKGSA-N. The full InChI is InChI=1S/3C18H18F2N4OS.C18H17F2N3OS.C17H16F2N4OS/c1-10-6-22-16(23-7-10)15-4-11-8-26-17(21)24-18(11,9-25-15)13-3-2-12(19)5-14(13)20;1-10-22-5-4-15(23-10)16-6-11-8-26-17(21)24-18(11,9-25-16)13-3-2-12(19)7-14(13)20;1-10-4-5-22-16(23-10)15-6-11-8-26-17(21)24-18(11,9-25-15)13-3-2-12(19)7-14(13)20;19-12-4-5-13(14(20)8-12)18-10-24-16(15-3-1-2-6-22-15)7-11(18)9-25-17(21)23-18;18-11-2-3-12(13(19)7-11)17-9-24-14(15-21-4-1-5-22-15)6-10(17)8-25-16(20)23-17/h2-3,5-7,11,15H,4,8-9H2,1H3,(H2,21,24);2-5,7,11,16H,6,8-9H2,1H3,(H2,21,24);2-5,7,11,15H,6,8-9H2,1H3,(H2,21,24);1-6,8,11,16H,7,9-10H2,(H2,21,23);1-5,7,10,14H,6,8-9H2,(H2,20,23)/t11-,15+,18-;11-,16+,18-;11-,15+,18-;11-,16+,18-;10-,14+,17-/m00000/s1.

What are the key properties of (4aR,6R,8aS)-8a-(2,4-difluorophenyl)-6-(2-methylpyrimidin-4-yl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine;(4aR,6R,8aS)-8a-(2,4-difluorophenyl)-6-(4-methylpyrimidin-2-yl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine;(4aR,6R,8aS)-8a-(2,4-difluorophenyl)-6-(5-methylpyrimidin-2-yl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine;(4aR,6R,8aS)-8a-(2,4-difluorophenyl)-6-pyridin-2-yl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine;(4aR,6R,8aS)-8a-(2,4-difluorophenyl)-6-pyrimidin-2-yl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine?

(4aR,6R,8aS)-8a-(2,4-difluorophenyl)-6-(2-methylpyrimidin-4-yl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine;(4aR,6R,8aS)-8a-(2,4-difluorophenyl)-6-(4-methylpyrimidin-2-yl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine;(4aR,6R,8aS)-8a-(2,4-difluorophenyl)-6-(5-methylpyrimidin-2-yl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine;(4aR,6R,8aS)-8a-(2,4-difluorophenyl)-6-pyridin-2-yl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine;(4aR,6R,8aS)-8a-(2,4-difluorophenyl)-6-pyrimidin-2-yl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine has a molecular weight of 1853.12 g/mol, XLogP of 15.48, 10 rotatable bonds, 5 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for (4aR,6R,8aS)-8a-(2,4-difluorophenyl)-6-(2-methylpyrimidin-4-yl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine;(4aR,6R,8aS)-8a-(2,4-difluorophenyl)-6-(4-methylpyrimidin-2-yl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine;(4aR,6R,8aS)-8a-(2,4-difluorophenyl)-6-(5-methylpyrimidin-2-yl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine;(4aR,6R,8aS)-8a-(2,4-difluorophenyl)-6-pyridin-2-yl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine;(4aR,6R,8aS)-8a-(2,4-difluorophenyl)-6-pyrimidin-2-yl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine is sourced from PubChem (CID 160691509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).