N-[3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;1-[3-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-2-[3-(trifluoromethyl)phenyl]ethanone;N-[6-methyl-5-[2-morpholin-4-yl-6-(3-oxomorpholin-4-yl)pyrimidin-4-yl]-3-pyridinyl]-3-(trifluoromethyl)benzamide

C108H110F12N20O16S3 — CID 162052784

About N-[3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;1-[3-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-2-[3-(trifluoromethyl)phenyl]ethanone;N-[6-methyl-5-[2-morpholin-4-yl-6-(3-oxomorpholin-4-yl)pyrimidin-4-yl]-3-pyridinyl]-3-(trifluoromethyl)benzamide

N-[3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;1-[3-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-2-[3-(trifluoromethyl)phenyl]ethanone;N-[6-methyl-5-[2-morpholin-4-yl-6-(3-oxomorpholin-4-yl)pyrimidin-4-yl]-3-pyridinyl]-3-(trifluoromethyl)benzamide (PubChem CID 162052784) has the molecular formula C108H110F12N20O16S3 and a molecular weight of 2268.37 g/mol. Its IUPAC name is N-[3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;1-[3-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-2-[3-(trifluoromethyl)phenyl]ethanone;N-[6-methyl-5-[2-morpholin-4-yl-6-(3-oxomorpholin-4-yl)pyrimidin-4-yl]-3-pyridinyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

• Compound Name: N-[3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;1-[3-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-2-[3-(trifluoromethyl)phenyl]ethanone;N-[6-methyl-5-[2-morpholin-4-yl-6-(3-oxomorpholin-4-yl)pyrimidin-4-yl]-3-pyridinyl]-3-(trifluoromethyl)benzamide
• PubChem CID: 162052784
• Molecular Formula: C108H110F12N20O16S3
• Molecular Weight: 2268.37 g/mol
• Exact Mass: 2266.74
• IUPAC Name: N-[3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;1-[3-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-2-[3-(trifluoromethyl)phenyl]ethanone;N-[6-methyl-5-[2-morpholin-4-yl-6-(3-oxomorpholin-4-yl)pyrimidin-4-yl]-3-pyridinyl]-3-(trifluoromethyl)benzamide
• SMILES: Cc1ccc(C(=O)Cc2cccc(C(F)(F)F)c2)cc1-c1cc(N2CCS(=O)(=O)CC2)nc(N2CCOCC2)n1.Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cc(N2CCOCC2)nc(N2CCS(=O)(=O)CC2)n1.Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cc(N2CCS(=O)(=O)CC2)nc(N2CCOCC2)n1.Cc1ncc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cc(N2CCOCC2=O)nc(N2CCOCC2)n1
• InChI: InChI=1S/C28H29F3N4O4S.2C27H28F3N5O4S.C26H25F3N6O4/c1-19-5-6-21(25(36)16-20-3-2-4-22(15-20)28(29,30)31)17-23(19)24-18-26(34-9-13-40(37,38)14-10-34)33-27(32-24)35-7-11-39-12-8-35;1-18-5-6-21(31-25(36)19-3-2-4-20(15-19)27(28,29)30)16-22(18)23-17-24(34-9-13-40(37,38)14-10-34)33-26(32-23)35-7-11-39-12-8-35;1-18-5-6-21(31-25(36)19-3-2-4-20(15-19)27(28,29)30)16-22(18)23-17-24(34-7-11-39-12-8-34)33-26(32-23)35-9-13-40(37,38)14-10-35;1-16-20(12-19(14-30-16)31-24(37)17-3-2-4-18(11-17)26(27,28)29)21-13-22(35-7-10-39-15-23(35)36)33-25(32-21)34-5-8-38-9-6-34/h2-6,15,17-18H,7-14,16H2,1H3;2*2-6,15-17H,7-14H2,1H3,(H,31,36);2-4,11-14H,5-10,15H2,1H3,(H,31,37)
• InChIKey: YYTPKPRKQBREDU-UHFFFAOYSA-N
• XLogP: 14.87
• TPSA: 411.94 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 32
• Rotatable Bonds: 21
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2268.37
LogP ≤ 5	14.87
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	32

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;1-[3-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-2-[3-(trifluoromethyl)phenyl]ethanone;N-[6-methyl-5-[2-morpholin-4-yl-6-(3-oxomorpholin-4-yl)pyrimidin-4-yl]-3-pyridinyl]-3-(trifluoromethyl)benzamide?

The IUPAC name of N-[3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;1-[3-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-2-[3-(trifluoromethyl)phenyl]ethanone;N-[6-methyl-5-[2-morpholin-4-yl-6-(3-oxomorpholin-4-yl)pyrimidin-4-yl]-3-pyridinyl]-3-(trifluoromethyl)benzamide (CID 162052784) is N-[3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;1-[3-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-2-[3-(trifluoromethyl)phenyl]ethanone;N-[6-methyl-5-[2-morpholin-4-yl-6-(3-oxomorpholin-4-yl)pyrimidin-4-yl]-3-pyridinyl]-3-(trifluoromethyl)benzamide.

What is the SMILES notation for N-[3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;1-[3-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-2-[3-(trifluoromethyl)phenyl]ethanone;N-[6-methyl-5-[2-morpholin-4-yl-6-(3-oxomorpholin-4-yl)pyrimidin-4-yl]-3-pyridinyl]-3-(trifluoromethyl)benzamide?

The canonical SMILES for N-[3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;1-[3-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-2-[3-(trifluoromethyl)phenyl]ethanone;N-[6-methyl-5-[2-morpholin-4-yl-6-(3-oxomorpholin-4-yl)pyrimidin-4-yl]-3-pyridinyl]-3-(trifluoromethyl)benzamide is Cc1ccc(C(=O)Cc2cccc(C(F)(F)F)c2)cc1-c1cc(N2CCS(=O)(=O)CC2)nc(N2CCOCC2)n1.Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cc(N2CCOCC2)nc(N2CCS(=O)(=O)CC2)n1.Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cc(N2CCS(=O)(=O)CC2)nc(N2CCOCC2)n1.Cc1ncc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cc(N2CCOCC2=O)nc(N2CCOCC2)n1.

What is the InChIKey of N-[3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;1-[3-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-2-[3-(trifluoromethyl)phenyl]ethanone;N-[6-methyl-5-[2-morpholin-4-yl-6-(3-oxomorpholin-4-yl)pyrimidin-4-yl]-3-pyridinyl]-3-(trifluoromethyl)benzamide?

The InChIKey is YYTPKPRKQBREDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29F3N4O4S.2C27H28F3N5O4S.C26H25F3N6O4/c1-19-5-6-21(25(36)16-20-3-2-4-22(15-20)28(29,30)31)17-23(19)24-18-26(34-9-13-40(37,38)14-10-34)33-27(32-24)35-7-11-39-12-8-35;1-18-5-6-21(31-25(36)19-3-2-4-20(15-19)27(28,29)30)16-22(18)23-17-24(34-9-13-40(37,38)14-10-34)33-26(32-23)35-7-11-39-12-8-35;1-18-5-6-21(31-25(36)19-3-2-4-20(15-19)27(28,29)30)16-22(18)23-17-24(34-7-11-39-12-8-34)33-26(32-23)35-9-13-40(37,38)14-10-35;1-16-20(12-19(14-30-16)31-24(37)17-3-2-4-18(11-17)26(27,28)29)21-13-22(35-7-10-39-15-23(35)36)33-25(32-21)34-5-8-38-9-6-34/h2-6,15,17-18H,7-14,16H2,1H3;2*2-6,15-17H,7-14H2,1H3,(H,31,36);2-4,11-14H,5-10,15H2,1H3,(H,31,37).

What are the key properties of N-[3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;1-[3-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-2-[3-(trifluoromethyl)phenyl]ethanone;N-[6-methyl-5-[2-morpholin-4-yl-6-(3-oxomorpholin-4-yl)pyrimidin-4-yl]-3-pyridinyl]-3-(trifluoromethyl)benzamide?

N-[3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;1-[3-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-2-[3-(trifluoromethyl)phenyl]ethanone;N-[6-methyl-5-[2-morpholin-4-yl-6-(3-oxomorpholin-4-yl)pyrimidin-4-yl]-3-pyridinyl]-3-(trifluoromethyl)benzamide has a molecular weight of 2268.37 g/mol, XLogP of 14.87, 21 rotatable bonds, 3 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;1-[3-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-2-[3-(trifluoromethyl)phenyl]ethanone;N-[6-methyl-5-[2-morpholin-4-yl-6-(3-oxomorpholin-4-yl)pyrimidin-4-yl]-3-pyridinyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 162052784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).