5-tert-butyl-N-[2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine;5-tert-butyl-N-[2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine;5-cyclobutyl-N-[2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine;2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-(3-phenyl-2H-pyrrol-5-yl)pyrimidin-4-amine;N-[2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-5-propan-2-yl-1,3-thiazol-2-amine

C132H147F7N30O5S4 — CID 158476720

About 5-tert-butyl-N-[2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine;5-tert-butyl-N-[2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine;5-cyclobutyl-N-[2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine;2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-(3-phenyl-2H-pyrrol-5-yl)pyrimidin-4-amine;N-[2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-5-propan-2-yl-1,3-thiazol-2-amine

5-tert-butyl-N-[2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine;5-tert-butyl-N-[2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine;5-cyclobutyl-N-[2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine;2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-(3-phenyl-2H-pyrrol-5-yl)pyrimidin-4-amine;N-[2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-5-propan-2-yl-1,3-thiazol-2-amine (PubChem CID 158476720) has the molecular formula C132H147F7N30O5S4 and a molecular weight of 2495.09 g/mol. Its IUPAC name is 5-tert-butyl-N-[2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine;5-tert-butyl-N-[2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine;5-cyclobutyl-N-[2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine;2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-(3-phenyl-2H-pyrrol-5-yl)pyrimidin-4-amine;N-[2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-5-propan-2-yl-1,3-thiazol-2-amine.

Molecular Properties

• Compound Name: 5-tert-butyl-N-[2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine;5-tert-butyl-N-[2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine;5-cyclobutyl-N-[2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine;2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-(3-phenyl-2H-pyrrol-5-yl)pyrimidin-4-amine;N-[2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-5-propan-2-yl-1,3-thiazol-2-amine
• PubChem CID: 158476720
• Molecular Formula: C132H147F7N30O5S4
• Molecular Weight: 2495.09 g/mol
• Exact Mass: 2493.09
• IUPAC Name: 5-tert-butyl-N-[2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine;5-tert-butyl-N-[2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine;5-cyclobutyl-N-[2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine;2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-(3-phenyl-2H-pyrrol-5-yl)pyrimidin-4-amine;N-[2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-5-propan-2-yl-1,3-thiazol-2-amine
• SMILES: CC1=Cc2c(F)c(Oc3nc(Nc4ncc(C(C)(C)C)s4)cc(N4CCN(C)CC4)n3)cc(F)c2C1.CC1=Cc2c(F)c(Oc3nc(Nc4ncc(C5CCC5)s4)cc(N4CCN(C)CC4)n3)cc(F)c2C1.CC1=Cc2c(ccc(Oc3nc(NC4=NCC(c5ccccc5)=C4)cc(N4CCN(C)CC4)n3)c2F)C1.CC1=Cc2c(ccc(Oc3nc(Nc4ncc(C(C)(C)C)s4)cc(N4CCN(C)CC4)n3)c2F)C1.CC1=Cc2c(ccc(Oc3nc(Nc4ncc(C(C)C)s4)cc(N4CCN(C)CC4)n3)c2F)C1
• InChI: InChI=1S/C29H29FN6O.C26H28F2N6OS.C26H30F2N6OS.C26H31FN6OS.C25H29FN6OS/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;1-15-10-17-18(11-15)24(28)20(12-19(17)27)35-25-30-22(13-23(32-25)34-8-6-33(2)7-9-34)31-26-29-14-21(36-26)16-4-3-5-16;1-15-10-16-17(11-15)23(28)19(12-18(16)27)35-24-30-21(31-25-29-14-20(36-25)26(2,3)4)13-22(32-24)34-8-6-33(5)7-9-34;1-16-12-17-6-7-19(23(27)18(17)13-16)34-24-29-21(30-25-28-15-20(35-25)26(2,3)4)14-22(31-24)33-10-8-32(5)9-11-33;1-15(2)20-14-27-25(34-20)29-21-13-22(32-9-7-31(4)8-10-32)30-24(28-21)33-19-6-5-17-11-16(3)12-18(17)23(19)26/h3-9,15-17H,10-14,18H2,1-2H3,(H,31,32,33,34);11-14,16H,3-10H2,1-2H3,(H,29,30,31,32);11-14H,6-10H2,1-5H3,(H,29,30,31,32);6-7,13-15H,8-12H2,1-5H3,(H,28,29,30,31);5-6,12-15H,7-11H2,1-4H3,(H,27,28,29,30)
• InChIKey: HHAKKXNLTZMCKY-UHFFFAOYSA-N
• XLogP: 27.57
• TPSA: 331.52 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 39
• Rotatable Bonds: 27
• Heavy Atoms: 178
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2495.09
LogP ≤ 5	27.57
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	39

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-[2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine;5-tert-butyl-N-[2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine;5-cyclobutyl-N-[2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine;2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-(3-phenyl-2H-pyrrol-5-yl)pyrimidin-4-amine;N-[2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-5-propan-2-yl-1,3-thiazol-2-amine?

The IUPAC name of 5-tert-butyl-N-[2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine;5-tert-butyl-N-[2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine;5-cyclobutyl-N-[2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine;2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-(3-phenyl-2H-pyrrol-5-yl)pyrimidin-4-amine;N-[2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-5-propan-2-yl-1,3-thiazol-2-amine (CID 158476720) is 5-tert-butyl-N-[2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine;5-tert-butyl-N-[2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine;5-cyclobutyl-N-[2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine;2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-(3-phenyl-2H-pyrrol-5-yl)pyrimidin-4-amine;N-[2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-5-propan-2-yl-1,3-thiazol-2-amine.

What is the SMILES notation for 5-tert-butyl-N-[2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine;5-tert-butyl-N-[2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine;5-cyclobutyl-N-[2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine;2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-(3-phenyl-2H-pyrrol-5-yl)pyrimidin-4-amine;N-[2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-5-propan-2-yl-1,3-thiazol-2-amine?

The canonical SMILES for 5-tert-butyl-N-[2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine;5-tert-butyl-N-[2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine;5-cyclobutyl-N-[2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine;2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-(3-phenyl-2H-pyrrol-5-yl)pyrimidin-4-amine;N-[2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-5-propan-2-yl-1,3-thiazol-2-amine is CC1=Cc2c(F)c(Oc3nc(Nc4ncc(C(C)(C)C)s4)cc(N4CCN(C)CC4)n3)cc(F)c2C1.CC1=Cc2c(F)c(Oc3nc(Nc4ncc(C5CCC5)s4)cc(N4CCN(C)CC4)n3)cc(F)c2C1.CC1=Cc2c(ccc(Oc3nc(NC4=NCC(c5ccccc5)=C4)cc(N4CCN(C)CC4)n3)c2F)C1.CC1=Cc2c(ccc(Oc3nc(Nc4ncc(C(C)(C)C)s4)cc(N4CCN(C)CC4)n3)c2F)C1.CC1=Cc2c(ccc(Oc3nc(Nc4ncc(C(C)C)s4)cc(N4CCN(C)CC4)n3)c2F)C1.

What is the InChIKey of 5-tert-butyl-N-[2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine;5-tert-butyl-N-[2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine;5-cyclobutyl-N-[2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine;2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-(3-phenyl-2H-pyrrol-5-yl)pyrimidin-4-amine;N-[2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-5-propan-2-yl-1,3-thiazol-2-amine?

The InChIKey is HHAKKXNLTZMCKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29FN6O.C26H28F2N6OS.C26H30F2N6OS.C26H31FN6OS.C25H29FN6OS/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;1-15-10-17-18(11-15)24(28)20(12-19(17)27)35-25-30-22(13-23(32-25)34-8-6-33(2)7-9-34)31-26-29-14-21(36-26)16-4-3-5-16;1-15-10-16-17(11-15)23(28)19(12-18(16)27)35-24-30-21(31-25-29-14-20(36-25)26(2,3)4)13-22(32-24)34-8-6-33(5)7-9-34;1-16-12-17-6-7-19(23(27)18(17)13-16)34-24-29-21(30-25-28-15-20(35-25)26(2,3)4)14-22(31-24)33-10-8-32(5)9-11-33;1-15(2)20-14-27-25(34-20)29-21-13-22(32-9-7-31(4)8-10-32)30-24(28-21)33-19-6-5-17-11-16(3)12-18(17)23(19)26/h3-9,15-17H,10-14,18H2,1-2H3,(H,31,32,33,34);11-14,16H,3-10H2,1-2H3,(H,29,30,31,32);11-14H,6-10H2,1-5H3,(H,29,30,31,32);6-7,13-15H,8-12H2,1-5H3,(H,28,29,30,31);5-6,12-15H,7-11H2,1-4H3,(H,27,28,29,30).

What are the key properties of 5-tert-butyl-N-[2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine;5-tert-butyl-N-[2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine;5-cyclobutyl-N-[2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine;2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-(3-phenyl-2H-pyrrol-5-yl)pyrimidin-4-amine;N-[2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-5-propan-2-yl-1,3-thiazol-2-amine?

5-tert-butyl-N-[2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine;5-tert-butyl-N-[2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine;5-cyclobutyl-N-[2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine;2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-(3-phenyl-2H-pyrrol-5-yl)pyrimidin-4-amine;N-[2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-5-propan-2-yl-1,3-thiazol-2-amine has a molecular weight of 2495.09 g/mol, XLogP of 27.57, 27 rotatable bonds, 5 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for 5-tert-butyl-N-[2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine;5-tert-butyl-N-[2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine;5-cyclobutyl-N-[2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine;2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-(3-phenyl-2H-pyrrol-5-yl)pyrimidin-4-amine;N-[2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-5-propan-2-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 158476720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).