1-(5-bromo-3-chloro-2-hydroxyphenyl)-2-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]ethanone;3-[[2-(5-bromo-3-chloro-2-hydroxyphenyl)-2-oxoethyl]amino]-6-methyl-4H-1,2,4-triazin-5-one;2-[(5-bromopyrimidin-2-yl)amino]-1-pyridin-2-ylethanone;3-chloro-N-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyl]-2-hydroxy-5-[3-(trifluoromethyl)phenyl]benzamide;1-[3-chloro-2-hydroxy-4-[3-(trifluoromethyl)phenyl]phenyl]-2-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]ethanone;3-[[2-(2-hydroxyphenyl)-2-oxoethyl]amino]-6-methyl-4H-1,2,4-triazin-5-one;6-methyl-3-[(2-oxo-2-pyridin-2-ylethyl)amino]-4H-1,2,4-triazin-5-one

C108H95Br3Cl4F9N29O18 — CID 159326013

About 1-(5-bromo-3-chloro-2-hydroxyphenyl)-2-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]ethanone;3-[[2-(5-bromo-3-chloro-2-hydroxyphenyl)-2-oxoethyl]amino]-6-methyl-4H-1,2,4-triazin-5-one;2-[(5-bromopyrimidin-2-yl)amino]-1-pyridin-2-ylethanone;3-chloro-N-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyl]-2-hydroxy-5-[3-(trifluoromethyl)phenyl]benzamide;1-[3-chloro-2-hydroxy-4-[3-(trifluoromethyl)phenyl]phenyl]-2-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]ethanone;3-[[2-(2-hydroxyphenyl)-2-oxoethyl]amino]-6-methyl-4H-1,2,4-triazin-5-one;6-methyl-3-[(2-oxo-2-pyridin-2-ylethyl)amino]-4H-1,2,4-triazin-5-one

1-(5-bromo-3-chloro-2-hydroxyphenyl)-2-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]ethanone;3-[[2-(5-bromo-3-chloro-2-hydroxyphenyl)-2-oxoethyl]amino]-6-methyl-4H-1,2,4-triazin-5-one;2-[(5-bromopyrimidin-2-yl)amino]-1-pyridin-2-ylethanone;3-chloro-N-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyl]-2-hydroxy-5-[3-(trifluoromethyl)phenyl]benzamide;1-[3-chloro-2-hydroxy-4-[3-(trifluoromethyl)phenyl]phenyl]-2-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]ethanone;3-[[2-(2-hydroxyphenyl)-2-oxoethyl]amino]-6-methyl-4H-1,2,4-triazin-5-one;6-methyl-3-[(2-oxo-2-pyridin-2-ylethyl)amino]-4H-1,2,4-triazin-5-one (PubChem CID 159326013) has the molecular formula C108H95Br3Cl4F9N29O18 and a molecular weight of 2639.64 g/mol. Its IUPAC name is 1-(5-bromo-3-chloro-2-hydroxyphenyl)-2-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]ethanone;3-[[2-(5-bromo-3-chloro-2-hydroxyphenyl)-2-oxoethyl]amino]-6-methyl-4H-1,2,4-triazin-5-one;2-[(5-bromopyrimidin-2-yl)amino]-1-pyridin-2-ylethanone;3-chloro-N-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyl]-2-hydroxy-5-[3-(trifluoromethyl)phenyl]benzamide;1-[3-chloro-2-hydroxy-4-[3-(trifluoromethyl)phenyl]phenyl]-2-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]ethanone;3-[[2-(2-hydroxyphenyl)-2-oxoethyl]amino]-6-methyl-4H-1,2,4-triazin-5-one;6-methyl-3-[(2-oxo-2-pyridin-2-ylethyl)amino]-4H-1,2,4-triazin-5-one.

Molecular Properties

• Compound Name: 1-(5-bromo-3-chloro-2-hydroxyphenyl)-2-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]ethanone;3-[[2-(5-bromo-3-chloro-2-hydroxyphenyl)-2-oxoethyl]amino]-6-methyl-4H-1,2,4-triazin-5-one;2-[(5-bromopyrimidin-2-yl)amino]-1-pyridin-2-ylethanone;3-chloro-N-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyl]-2-hydroxy-5-[3-(trifluoromethyl)phenyl]benzamide;1-[3-chloro-2-hydroxy-4-[3-(trifluoromethyl)phenyl]phenyl]-2-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]ethanone;3-[[2-(2-hydroxyphenyl)-2-oxoethyl]amino]-6-methyl-4H-1,2,4-triazin-5-one;6-methyl-3-[(2-oxo-2-pyridin-2-ylethyl)amino]-4H-1,2,4-triazin-5-one
• PubChem CID: 159326013
• Molecular Formula: C108H95Br3Cl4F9N29O18
• Molecular Weight: 2639.64 g/mol
• Exact Mass: 2633.36
• IUPAC Name: 1-(5-bromo-3-chloro-2-hydroxyphenyl)-2-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]ethanone;3-[[2-(5-bromo-3-chloro-2-hydroxyphenyl)-2-oxoethyl]amino]-6-methyl-4H-1,2,4-triazin-5-one;2-[(5-bromopyrimidin-2-yl)amino]-1-pyridin-2-ylethanone;3-chloro-N-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyl]-2-hydroxy-5-[3-(trifluoromethyl)phenyl]benzamide;1-[3-chloro-2-hydroxy-4-[3-(trifluoromethyl)phenyl]phenyl]-2-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]ethanone;3-[[2-(2-hydroxyphenyl)-2-oxoethyl]amino]-6-methyl-4H-1,2,4-triazin-5-one;6-methyl-3-[(2-oxo-2-pyridin-2-ylethyl)amino]-4H-1,2,4-triazin-5-one
• SMILES: Cc1nnc(NCC(=O)c2cc(Br)cc(Cl)c2O)[nH]c1=O.Cc1nnc(NCC(=O)c2ccccc2O)[nH]c1=O.Cc1nnc(NCC(=O)c2ccccn2)[nH]c1=O.O=C(CNc1ncc(Br)cn1)c1ccccn1.O=C(CNc1ncc(F)c(N2CCOCC2)n1)c1cc(Br)cc(Cl)c1O.O=C(CNc1ncc(F)c(N2CCOCC2)n1)c1ccc(-c2cccc(C(F)(F)F)c2)c(Cl)c1O.O=C(NCc1ncc(F)c(N2CCOCC2)n1)c1cc(-c2cccc(C(F)(F)F)c2)cc(Cl)c1O
• InChI: InChI=1S/2C23H19ClF4N4O3.C16H15BrClFN4O3.C12H10BrClN4O3.C12H12N4O3.C11H9BrN4O.C11H11N5O2/c24-17-10-14(13-2-1-3-15(8-13)23(26,27)28)9-16(20(17)33)22(34)30-12-19-29-11-18(25)21(31-19)32-4-6-35-7-5-32;24-19-15(13-2-1-3-14(10-13)23(26,27)28)4-5-16(20(19)34)18(33)12-30-22-29-11-17(25)21(31-22)32-6-8-35-9-7-32;17-9-5-10(14(25)11(18)6-9)13(24)8-21-16-20-7-12(19)15(22-16)23-1-3-26-4-2-23;1-5-11(21)16-12(18-17-5)15-4-9(19)7-2-6(13)3-8(14)10(7)20;1-7-11(19)14-12(16-15-7)13-6-10(18)8-4-2-3-5-9(8)17;12-8-5-14-11(15-6-8)16-7-10(17)9-3-1-2-4-13-9;1-7-10(18)14-11(16-15-7)13-6-9(17)8-4-2-3-5-12-8/h1-3,8-11,33H,4-7,12H2,(H,30,34);1-5,10-11,34H,6-9,12H2,(H,29,30,31);5-7,25H,1-4,8H2,(H,20,21,22);2-3,20H,4H2,1H3,(H2,15,16,18,21);2-5,17H,6H2,1H3,(H2,13,14,16,19);1-6H,7H2,(H,14,15,16);2-5H,6H2,1H3,(H2,13,14,16,18)
• InChIKey: LEJJPSDJXKUZOO-UHFFFAOYSA-N
• XLogP: 16.54
• TPSA: 647.08 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 43
• Rotatable Bonds: 32
• Heavy Atoms: 171
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2639.64
LogP ≤ 5	16.54
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	43

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-3-chloro-2-hydroxyphenyl)-2-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]ethanone;3-[[2-(5-bromo-3-chloro-2-hydroxyphenyl)-2-oxoethyl]amino]-6-methyl-4H-1,2,4-triazin-5-one;2-[(5-bromopyrimidin-2-yl)amino]-1-pyridin-2-ylethanone;3-chloro-N-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyl]-2-hydroxy-5-[3-(trifluoromethyl)phenyl]benzamide;1-[3-chloro-2-hydroxy-4-[3-(trifluoromethyl)phenyl]phenyl]-2-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]ethanone;3-[[2-(2-hydroxyphenyl)-2-oxoethyl]amino]-6-methyl-4H-1,2,4-triazin-5-one;6-methyl-3-[(2-oxo-2-pyridin-2-ylethyl)amino]-4H-1,2,4-triazin-5-one?

The IUPAC name of 1-(5-bromo-3-chloro-2-hydroxyphenyl)-2-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]ethanone;3-[[2-(5-bromo-3-chloro-2-hydroxyphenyl)-2-oxoethyl]amino]-6-methyl-4H-1,2,4-triazin-5-one;2-[(5-bromopyrimidin-2-yl)amino]-1-pyridin-2-ylethanone;3-chloro-N-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyl]-2-hydroxy-5-[3-(trifluoromethyl)phenyl]benzamide;1-[3-chloro-2-hydroxy-4-[3-(trifluoromethyl)phenyl]phenyl]-2-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]ethanone;3-[[2-(2-hydroxyphenyl)-2-oxoethyl]amino]-6-methyl-4H-1,2,4-triazin-5-one;6-methyl-3-[(2-oxo-2-pyridin-2-ylethyl)amino]-4H-1,2,4-triazin-5-one (CID 159326013) is 1-(5-bromo-3-chloro-2-hydroxyphenyl)-2-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]ethanone;3-[[2-(5-bromo-3-chloro-2-hydroxyphenyl)-2-oxoethyl]amino]-6-methyl-4H-1,2,4-triazin-5-one;2-[(5-bromopyrimidin-2-yl)amino]-1-pyridin-2-ylethanone;3-chloro-N-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyl]-2-hydroxy-5-[3-(trifluoromethyl)phenyl]benzamide;1-[3-chloro-2-hydroxy-4-[3-(trifluoromethyl)phenyl]phenyl]-2-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]ethanone;3-[[2-(2-hydroxyphenyl)-2-oxoethyl]amino]-6-methyl-4H-1,2,4-triazin-5-one;6-methyl-3-[(2-oxo-2-pyridin-2-ylethyl)amino]-4H-1,2,4-triazin-5-one.

What is the SMILES notation for 1-(5-bromo-3-chloro-2-hydroxyphenyl)-2-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]ethanone;3-[[2-(5-bromo-3-chloro-2-hydroxyphenyl)-2-oxoethyl]amino]-6-methyl-4H-1,2,4-triazin-5-one;2-[(5-bromopyrimidin-2-yl)amino]-1-pyridin-2-ylethanone;3-chloro-N-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyl]-2-hydroxy-5-[3-(trifluoromethyl)phenyl]benzamide;1-[3-chloro-2-hydroxy-4-[3-(trifluoromethyl)phenyl]phenyl]-2-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]ethanone;3-[[2-(2-hydroxyphenyl)-2-oxoethyl]amino]-6-methyl-4H-1,2,4-triazin-5-one;6-methyl-3-[(2-oxo-2-pyridin-2-ylethyl)amino]-4H-1,2,4-triazin-5-one?

The canonical SMILES for 1-(5-bromo-3-chloro-2-hydroxyphenyl)-2-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]ethanone;3-[[2-(5-bromo-3-chloro-2-hydroxyphenyl)-2-oxoethyl]amino]-6-methyl-4H-1,2,4-triazin-5-one;2-[(5-bromopyrimidin-2-yl)amino]-1-pyridin-2-ylethanone;3-chloro-N-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyl]-2-hydroxy-5-[3-(trifluoromethyl)phenyl]benzamide;1-[3-chloro-2-hydroxy-4-[3-(trifluoromethyl)phenyl]phenyl]-2-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]ethanone;3-[[2-(2-hydroxyphenyl)-2-oxoethyl]amino]-6-methyl-4H-1,2,4-triazin-5-one;6-methyl-3-[(2-oxo-2-pyridin-2-ylethyl)amino]-4H-1,2,4-triazin-5-one is Cc1nnc(NCC(=O)c2cc(Br)cc(Cl)c2O)[nH]c1=O.Cc1nnc(NCC(=O)c2ccccc2O)[nH]c1=O.Cc1nnc(NCC(=O)c2ccccn2)[nH]c1=O.O=C(CNc1ncc(Br)cn1)c1ccccn1.O=C(CNc1ncc(F)c(N2CCOCC2)n1)c1cc(Br)cc(Cl)c1O.O=C(CNc1ncc(F)c(N2CCOCC2)n1)c1ccc(-c2cccc(C(F)(F)F)c2)c(Cl)c1O.O=C(NCc1ncc(F)c(N2CCOCC2)n1)c1cc(-c2cccc(C(F)(F)F)c2)cc(Cl)c1O.

What is the InChIKey of 1-(5-bromo-3-chloro-2-hydroxyphenyl)-2-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]ethanone;3-[[2-(5-bromo-3-chloro-2-hydroxyphenyl)-2-oxoethyl]amino]-6-methyl-4H-1,2,4-triazin-5-one;2-[(5-bromopyrimidin-2-yl)amino]-1-pyridin-2-ylethanone;3-chloro-N-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyl]-2-hydroxy-5-[3-(trifluoromethyl)phenyl]benzamide;1-[3-chloro-2-hydroxy-4-[3-(trifluoromethyl)phenyl]phenyl]-2-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]ethanone;3-[[2-(2-hydroxyphenyl)-2-oxoethyl]amino]-6-methyl-4H-1,2,4-triazin-5-one;6-methyl-3-[(2-oxo-2-pyridin-2-ylethyl)amino]-4H-1,2,4-triazin-5-one?

The InChIKey is LEJJPSDJXKUZOO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C23H19ClF4N4O3.C16H15BrClFN4O3.C12H10BrClN4O3.C12H12N4O3.C11H9BrN4O.C11H11N5O2/c24-17-10-14(13-2-1-3-15(8-13)23(26,27)28)9-16(20(17)33)22(34)30-12-19-29-11-18(25)21(31-19)32-4-6-35-7-5-32;24-19-15(13-2-1-3-14(10-13)23(26,27)28)4-5-16(20(19)34)18(33)12-30-22-29-11-17(25)21(31-22)32-6-8-35-9-7-32;17-9-5-10(14(25)11(18)6-9)13(24)8-21-16-20-7-12(19)15(22-16)23-1-3-26-4-2-23;1-5-11(21)16-12(18-17-5)15-4-9(19)7-2-6(13)3-8(14)10(7)20;1-7-11(19)14-12(16-15-7)13-6-10(18)8-4-2-3-5-9(8)17;12-8-5-14-11(15-6-8)16-7-10(17)9-3-1-2-4-13-9;1-7-10(18)14-11(16-15-7)13-6-9(17)8-4-2-3-5-12-8/h1-3,8-11,33H,4-7,12H2,(H,30,34);1-5,10-11,34H,6-9,12H2,(H,29,30,31);5-7,25H,1-4,8H2,(H,20,21,22);2-3,20H,4H2,1H3,(H2,15,16,18,21);2-5,17H,6H2,1H3,(H2,13,14,16,19);1-6H,7H2,(H,14,15,16);2-5H,6H2,1H3,(H2,13,14,16,18).

What are the key properties of 1-(5-bromo-3-chloro-2-hydroxyphenyl)-2-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]ethanone;3-[[2-(5-bromo-3-chloro-2-hydroxyphenyl)-2-oxoethyl]amino]-6-methyl-4H-1,2,4-triazin-5-one;2-[(5-bromopyrimidin-2-yl)amino]-1-pyridin-2-ylethanone;3-chloro-N-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyl]-2-hydroxy-5-[3-(trifluoromethyl)phenyl]benzamide;1-[3-chloro-2-hydroxy-4-[3-(trifluoromethyl)phenyl]phenyl]-2-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]ethanone;3-[[2-(2-hydroxyphenyl)-2-oxoethyl]amino]-6-methyl-4H-1,2,4-triazin-5-one;6-methyl-3-[(2-oxo-2-pyridin-2-ylethyl)amino]-4H-1,2,4-triazin-5-one?

1-(5-bromo-3-chloro-2-hydroxyphenyl)-2-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]ethanone;3-[[2-(5-bromo-3-chloro-2-hydroxyphenyl)-2-oxoethyl]amino]-6-methyl-4H-1,2,4-triazin-5-one;2-[(5-bromopyrimidin-2-yl)amino]-1-pyridin-2-ylethanone;3-chloro-N-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyl]-2-hydroxy-5-[3-(trifluoromethyl)phenyl]benzamide;1-[3-chloro-2-hydroxy-4-[3-(trifluoromethyl)phenyl]phenyl]-2-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]ethanone;3-[[2-(2-hydroxyphenyl)-2-oxoethyl]amino]-6-methyl-4H-1,2,4-triazin-5-one;6-methyl-3-[(2-oxo-2-pyridin-2-ylethyl)amino]-4H-1,2,4-triazin-5-one has a molecular weight of 2639.64 g/mol, XLogP of 16.54, 32 rotatable bonds, 15 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(5-bromo-3-chloro-2-hydroxyphenyl)-2-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]ethanone;3-[[2-(5-bromo-3-chloro-2-hydroxyphenyl)-2-oxoethyl]amino]-6-methyl-4H-1,2,4-triazin-5-one;2-[(5-bromopyrimidin-2-yl)amino]-1-pyridin-2-ylethanone;3-chloro-N-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyl]-2-hydroxy-5-[3-(trifluoromethyl)phenyl]benzamide;1-[3-chloro-2-hydroxy-4-[3-(trifluoromethyl)phenyl]phenyl]-2-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]ethanone;3-[[2-(2-hydroxyphenyl)-2-oxoethyl]amino]-6-methyl-4H-1,2,4-triazin-5-one;6-methyl-3-[(2-oxo-2-pyridin-2-ylethyl)amino]-4H-1,2,4-triazin-5-one is sourced from PubChem (CID 159326013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).