5-bromo-N-[2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine;2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-(3-phenyl-2H-pyrrol-5-yl)pyrimidin-4-amine;2-[[2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazole-5-carbonitrile;2-[[2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazole-5-carbonitrile;N-[2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-5-methyl-1,3-thiazol-2-amine

C120H119BrClF5N32O5S4 — CID 159849465

About 5-bromo-N-[2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine;2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-(3-phenyl-2H-pyrrol-5-yl)pyrimidin-4-amine;2-[[2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazole-5-carbonitrile;2-[[2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazole-5-carbonitrile;N-[2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-5-methyl-1,3-thiazol-2-amine

5-bromo-N-[2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine;2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-(3-phenyl-2H-pyrrol-5-yl)pyrimidin-4-amine;2-[[2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazole-5-carbonitrile;2-[[2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazole-5-carbonitrile;N-[2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-5-methyl-1,3-thiazol-2-amine (PubChem CID 159849465) has the molecular formula C120H119BrClF5N32O5S4 and a molecular weight of 2428.11 g/mol. Its IUPAC name is 5-bromo-N-[2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine;2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-(3-phenyl-2H-pyrrol-5-yl)pyrimidin-4-amine;2-[[2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazole-5-carbonitrile;2-[[2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazole-5-carbonitrile;N-[2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-5-methyl-1,3-thiazol-2-amine.

Molecular Properties

• Compound Name: 5-bromo-N-[2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine;2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-(3-phenyl-2H-pyrrol-5-yl)pyrimidin-4-amine;2-[[2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazole-5-carbonitrile;2-[[2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazole-5-carbonitrile;N-[2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-5-methyl-1,3-thiazol-2-amine
• PubChem CID: 159849465
• Molecular Formula: C120H119BrClF5N32O5S4
• Molecular Weight: 2428.11 g/mol
• Exact Mass: 2424.77
• IUPAC Name: 5-bromo-N-[2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine;2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-(3-phenyl-2H-pyrrol-5-yl)pyrimidin-4-amine;2-[[2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazole-5-carbonitrile;2-[[2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazole-5-carbonitrile;N-[2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-5-methyl-1,3-thiazol-2-amine
• SMILES: CC1=Cc2c(F)c(Oc3nc(Nc4ncc(C#N)s4)cc(N4CCN(C)CC4)n3)cc(F)c2C1.CC1=Cc2c(ccc(Oc3nc(NC4=NCC(c5ccccc5)=C4)cc(N4CCN(C)CC4)n3)c2Cl)C1.CC1=Cc2c(ccc(Oc3nc(Nc4ncc(Br)s4)cc(N4CCN(C)CC4)n3)c2F)C1.CC1=Cc2c(ccc(Oc3nc(Nc4ncc(C#N)s4)cc(N4CCN(C)CC4)n3)c2F)C1.CC1=Cc2c(ccc(Oc3nc(Nc4ncc(C)s4)cc(N4CCN(C)CC4)n3)c2F)C1
• InChI: InChI=1S/C29H29ClN6O.C23H21F2N7OS.C23H22FN7OS.C23H25FN6OS.C22H22BrFN6OS/c1-19-14-21-8-9-24(28(30)23(21)15-19)37-29-33-26(17-27(34-29)36-12-10-35(2)11-13-36)32-25-16-22(18-31-25)20-6-4-3-5-7-20;1-13-7-15-16(8-13)21(25)18(9-17(15)24)33-22-28-19(29-23-27-12-14(11-26)34-23)10-20(30-22)32-5-3-31(2)4-6-32;1-14-9-15-3-4-18(21(24)17(15)10-14)32-22-27-19(28-23-26-13-16(12-25)33-23)11-20(29-22)31-7-5-30(2)6-8-31;1-14-10-16-4-5-18(21(24)17(16)11-14)31-22-26-19(27-23-25-13-15(2)32-23)12-20(28-22)30-8-6-29(3)7-9-30;1-13-9-14-3-4-16(20(24)15(14)10-13)31-21-26-18(27-22-25-12-17(23)32-22)11-19(28-21)30-7-5-29(2)6-8-30/h3-9,15-17H,10-14,18H2,1-2H3,(H,31,32,33,34);8-10,12H,3-7H2,1-2H3,(H,27,28,29,30);3-4,10-11,13H,5-9H2,1-2H3,(H,26,27,28,29);4-5,11-13H,6-10H2,1-3H3,(H,25,26,27,28);3-4,10-12H,5-9H2,1-2H3,(H,25,26,27,28)
• InChIKey: NPSYLLVXNIRCGS-UHFFFAOYSA-N
• XLogP: 23.77
• TPSA: 379.10 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 41
• Rotatable Bonds: 25
• Heavy Atoms: 168
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2428.11
LogP ≤ 5	23.77
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	41

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine;2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-(3-phenyl-2H-pyrrol-5-yl)pyrimidin-4-amine;2-[[2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazole-5-carbonitrile;2-[[2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazole-5-carbonitrile;N-[2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-5-methyl-1,3-thiazol-2-amine?

The IUPAC name of 5-bromo-N-[2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine;2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-(3-phenyl-2H-pyrrol-5-yl)pyrimidin-4-amine;2-[[2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazole-5-carbonitrile;2-[[2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazole-5-carbonitrile;N-[2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-5-methyl-1,3-thiazol-2-amine (CID 159849465) is 5-bromo-N-[2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine;2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-(3-phenyl-2H-pyrrol-5-yl)pyrimidin-4-amine;2-[[2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazole-5-carbonitrile;2-[[2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazole-5-carbonitrile;N-[2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-5-methyl-1,3-thiazol-2-amine.

What is the SMILES notation for 5-bromo-N-[2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine;2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-(3-phenyl-2H-pyrrol-5-yl)pyrimidin-4-amine;2-[[2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazole-5-carbonitrile;2-[[2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazole-5-carbonitrile;N-[2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-5-methyl-1,3-thiazol-2-amine?

The canonical SMILES for 5-bromo-N-[2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine;2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-(3-phenyl-2H-pyrrol-5-yl)pyrimidin-4-amine;2-[[2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazole-5-carbonitrile;2-[[2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazole-5-carbonitrile;N-[2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-5-methyl-1,3-thiazol-2-amine is CC1=Cc2c(F)c(Oc3nc(Nc4ncc(C#N)s4)cc(N4CCN(C)CC4)n3)cc(F)c2C1.CC1=Cc2c(ccc(Oc3nc(NC4=NCC(c5ccccc5)=C4)cc(N4CCN(C)CC4)n3)c2Cl)C1.CC1=Cc2c(ccc(Oc3nc(Nc4ncc(Br)s4)cc(N4CCN(C)CC4)n3)c2F)C1.CC1=Cc2c(ccc(Oc3nc(Nc4ncc(C#N)s4)cc(N4CCN(C)CC4)n3)c2F)C1.CC1=Cc2c(ccc(Oc3nc(Nc4ncc(C)s4)cc(N4CCN(C)CC4)n3)c2F)C1.

What is the InChIKey of 5-bromo-N-[2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine;2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-(3-phenyl-2H-pyrrol-5-yl)pyrimidin-4-amine;2-[[2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazole-5-carbonitrile;2-[[2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazole-5-carbonitrile;N-[2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-5-methyl-1,3-thiazol-2-amine?

The InChIKey is NPSYLLVXNIRCGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29ClN6O.C23H21F2N7OS.C23H22FN7OS.C23H25FN6OS.C22H22BrFN6OS/c1-19-14-21-8-9-24(28(30)23(21)15-19)37-29-33-26(17-27(34-29)36-12-10-35(2)11-13-36)32-25-16-22(18-31-25)20-6-4-3-5-7-20;1-13-7-15-16(8-13)21(25)18(9-17(15)24)33-22-28-19(29-23-27-12-14(11-26)34-23)10-20(30-22)32-5-3-31(2)4-6-32;1-14-9-15-3-4-18(21(24)17(15)10-14)32-22-27-19(28-23-26-13-16(12-25)33-23)11-20(29-22)31-7-5-30(2)6-8-31;1-14-10-16-4-5-18(21(24)17(16)11-14)31-22-26-19(27-23-25-13-15(2)32-23)12-20(28-22)30-8-6-29(3)7-9-30;1-13-9-14-3-4-16(20(24)15(14)10-13)31-21-26-18(27-22-25-12-17(23)32-22)11-19(28-21)30-7-5-29(2)6-8-30/h3-9,15-17H,10-14,18H2,1-2H3,(H,31,32,33,34);8-10,12H,3-7H2,1-2H3,(H,27,28,29,30);3-4,10-11,13H,5-9H2,1-2H3,(H,26,27,28,29);4-5,11-13H,6-10H2,1-3H3,(H,25,26,27,28);3-4,10-12H,5-9H2,1-2H3,(H,25,26,27,28).

What are the key properties of 5-bromo-N-[2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine;2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-(3-phenyl-2H-pyrrol-5-yl)pyrimidin-4-amine;2-[[2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazole-5-carbonitrile;2-[[2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazole-5-carbonitrile;N-[2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-5-methyl-1,3-thiazol-2-amine?

5-bromo-N-[2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine;2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-(3-phenyl-2H-pyrrol-5-yl)pyrimidin-4-amine;2-[[2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazole-5-carbonitrile;2-[[2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazole-5-carbonitrile;N-[2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-5-methyl-1,3-thiazol-2-amine has a molecular weight of 2428.11 g/mol, XLogP of 23.77, 25 rotatable bonds, 5 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-N-[2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine;2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-(3-phenyl-2H-pyrrol-5-yl)pyrimidin-4-amine;2-[[2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazole-5-carbonitrile;2-[[2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazole-5-carbonitrile;N-[2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-5-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 159849465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).