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

C130H156F4N30O5S2 — CID 158726725

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

N-(3-tert-butyl-2H-pyrrol-5-yl)-2-[(2,4-dimethyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine;N-(3-tert-butyl-2H-pyrrol-5-yl)-2-[(2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine;N-[2-[(4,6-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-5-ethyl-1,3-thiazol-2-amine;N-[2-[(4,6-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-5-propan-2-yl-1,3-thiazol-2-amine;2-[(2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-(3-propyl-2H-pyrrol-5-yl)pyrimidin-4-amine (PubChem CID 158726725) has the molecular formula C130H156F4N30O5S2 and a molecular weight of 2359.01 g/mol. Its IUPAC name is N-(3-tert-butyl-2H-pyrrol-5-yl)-2-[(2,4-dimethyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine;N-(3-tert-butyl-2H-pyrrol-5-yl)-2-[(2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine;N-[2-[(4,6-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-5-ethyl-1,3-thiazol-2-amine;N-[2-[(4,6-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-5-propan-2-yl-1,3-thiazol-2-amine;2-[(2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-(3-propyl-2H-pyrrol-5-yl)pyrimidin-4-amine.

Molecular Properties

• Compound Name: N-(3-tert-butyl-2H-pyrrol-5-yl)-2-[(2,4-dimethyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine;N-(3-tert-butyl-2H-pyrrol-5-yl)-2-[(2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine;N-[2-[(4,6-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-5-ethyl-1,3-thiazol-2-amine;N-[2-[(4,6-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-5-propan-2-yl-1,3-thiazol-2-amine;2-[(2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-(3-propyl-2H-pyrrol-5-yl)pyrimidin-4-amine
• PubChem CID: 158726725
• Molecular Formula: C130H156F4N30O5S2
• Molecular Weight: 2359.01 g/mol
• Exact Mass: 2357.23
• IUPAC Name: N-(3-tert-butyl-2H-pyrrol-5-yl)-2-[(2,4-dimethyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine;N-(3-tert-butyl-2H-pyrrol-5-yl)-2-[(2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine;N-[2-[(4,6-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-5-ethyl-1,3-thiazol-2-amine;N-[2-[(4,6-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-5-propan-2-yl-1,3-thiazol-2-amine;2-[(2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-(3-propyl-2H-pyrrol-5-yl)pyrimidin-4-amine
• SMILES: CC1=Cc2c(cc(F)c(Oc3nc(Nc4ncc(C(C)C)s4)cc(N4CCN(C)CC4)n3)c2F)C1.CC1=Cc2c(ccc(Oc3nc(NC4=NCC(C(C)(C)C)=C4)cc(N4CCN(C)CC4)n3)c2C)C1.CC1=Cc2cc(Oc3nc(NC4=NCC(C(C)(C)C)=C4)cc(N4CCN(C)CC4)n3)ccc2C1.CCCC1=CC(Nc2cc(N3CCN(C)CC3)nc(Oc3ccc4c(c3)C=C(C)C4)n2)=NC1.CCc1cnc(Nc2cc(N3CCN(C)CC3)nc(Oc3c(F)cc4c(c3F)C=C(C)C4)n2)s1
• InChI: InChI=1S/C28H36N6O.C27H34N6O.C26H32N6O.C25H28F2N6OS.C24H26F2N6OS/c1-18-13-20-7-8-23(19(2)22(20)14-18)35-27-31-25(30-24-15-21(17-29-24)28(3,4)5)16-26(32-27)34-11-9-33(6)10-12-34;1-18-12-19-6-7-22(14-20(19)13-18)34-26-30-24(29-23-15-21(17-28-23)27(2,3)4)16-25(31-26)33-10-8-32(5)9-11-33;1-4-5-19-14-23(27-17-19)28-24-16-25(32-10-8-31(3)9-11-32)30-26(29-24)33-22-7-6-20-12-18(2)13-21(20)15-22;1-14(2)19-13-28-25(35-19)30-20-12-21(33-7-5-32(4)6-8-33)31-24(29-20)34-23-18(26)11-16-9-15(3)10-17(16)22(23)27;1-4-16-13-27-24(34-16)29-19-12-20(32-7-5-31(3)6-8-32)30-23(28-19)33-22-18(25)11-15-9-14(2)10-17(15)21(22)26/h7-8,14-16H,9-13,17H2,1-6H3,(H,29,30,31,32);6-7,13-16H,8-12,17H2,1-5H3,(H,28,29,30,31);6-7,13-16H,4-5,8-12,17H2,1-3H3,(H,27,28,29,30);10-14H,5-9H2,1-4H3,(H,28,29,30,31);10-13H,4-9H2,1-3H3,(H,27,28,29,30)
• InChIKey: IKPBJEMDQPDAMY-UHFFFAOYSA-N
• XLogP: 24.99
• TPSA: 330.46 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 37
• Rotatable Bonds: 26
• Heavy Atoms: 171
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2359.01
LogP ≤ 5	24.99
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	37

Frequently Asked Questions

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

The IUPAC name of N-(3-tert-butyl-2H-pyrrol-5-yl)-2-[(2,4-dimethyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine;N-(3-tert-butyl-2H-pyrrol-5-yl)-2-[(2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine;N-[2-[(4,6-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-5-ethyl-1,3-thiazol-2-amine;N-[2-[(4,6-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-5-propan-2-yl-1,3-thiazol-2-amine;2-[(2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-(3-propyl-2H-pyrrol-5-yl)pyrimidin-4-amine (CID 158726725) is N-(3-tert-butyl-2H-pyrrol-5-yl)-2-[(2,4-dimethyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine;N-(3-tert-butyl-2H-pyrrol-5-yl)-2-[(2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine;N-[2-[(4,6-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-5-ethyl-1,3-thiazol-2-amine;N-[2-[(4,6-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-5-propan-2-yl-1,3-thiazol-2-amine;2-[(2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-(3-propyl-2H-pyrrol-5-yl)pyrimidin-4-amine.

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

The canonical SMILES for N-(3-tert-butyl-2H-pyrrol-5-yl)-2-[(2,4-dimethyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine;N-(3-tert-butyl-2H-pyrrol-5-yl)-2-[(2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine;N-[2-[(4,6-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-5-ethyl-1,3-thiazol-2-amine;N-[2-[(4,6-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-5-propan-2-yl-1,3-thiazol-2-amine;2-[(2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-(3-propyl-2H-pyrrol-5-yl)pyrimidin-4-amine is CC1=Cc2c(cc(F)c(Oc3nc(Nc4ncc(C(C)C)s4)cc(N4CCN(C)CC4)n3)c2F)C1.CC1=Cc2c(ccc(Oc3nc(NC4=NCC(C(C)(C)C)=C4)cc(N4CCN(C)CC4)n3)c2C)C1.CC1=Cc2cc(Oc3nc(NC4=NCC(C(C)(C)C)=C4)cc(N4CCN(C)CC4)n3)ccc2C1.CCCC1=CC(Nc2cc(N3CCN(C)CC3)nc(Oc3ccc4c(c3)C=C(C)C4)n2)=NC1.CCc1cnc(Nc2cc(N3CCN(C)CC3)nc(Oc3c(F)cc4c(c3F)C=C(C)C4)n2)s1.

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

The InChIKey is IKPBJEMDQPDAMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N6O.C27H34N6O.C26H32N6O.C25H28F2N6OS.C24H26F2N6OS/c1-18-13-20-7-8-23(19(2)22(20)14-18)35-27-31-25(30-24-15-21(17-29-24)28(3,4)5)16-26(32-27)34-11-9-33(6)10-12-34;1-18-12-19-6-7-22(14-20(19)13-18)34-26-30-24(29-23-15-21(17-28-23)27(2,3)4)16-25(31-26)33-10-8-32(5)9-11-33;1-4-5-19-14-23(27-17-19)28-24-16-25(32-10-8-31(3)9-11-32)30-26(29-24)33-22-7-6-20-12-18(2)13-21(20)15-22;1-14(2)19-13-28-25(35-19)30-20-12-21(33-7-5-32(4)6-8-33)31-24(29-20)34-23-18(26)11-16-9-15(3)10-17(16)22(23)27;1-4-16-13-27-24(34-16)29-19-12-20(32-7-5-31(3)6-8-32)30-23(28-19)33-22-18(25)11-15-9-14(2)10-17(15)21(22)26/h7-8,14-16H,9-13,17H2,1-6H3,(H,29,30,31,32);6-7,13-16H,8-12,17H2,1-5H3,(H,28,29,30,31);6-7,13-16H,4-5,8-12,17H2,1-3H3,(H,27,28,29,30);10-14H,5-9H2,1-4H3,(H,28,29,30,31);10-13H,4-9H2,1-3H3,(H,27,28,29,30).

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

N-(3-tert-butyl-2H-pyrrol-5-yl)-2-[(2,4-dimethyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine;N-(3-tert-butyl-2H-pyrrol-5-yl)-2-[(2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine;N-[2-[(4,6-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-5-ethyl-1,3-thiazol-2-amine;N-[2-[(4,6-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-5-propan-2-yl-1,3-thiazol-2-amine;2-[(2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-(3-propyl-2H-pyrrol-5-yl)pyrimidin-4-amine has a molecular weight of 2359.01 g/mol, XLogP of 24.99, 26 rotatable bonds, 5 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-tert-butyl-2H-pyrrol-5-yl)-2-[(2,4-dimethyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine;N-(3-tert-butyl-2H-pyrrol-5-yl)-2-[(2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine;N-[2-[(4,6-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-5-ethyl-1,3-thiazol-2-amine;N-[2-[(4,6-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-5-propan-2-yl-1,3-thiazol-2-amine;2-[(2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-(3-propyl-2H-pyrrol-5-yl)pyrimidin-4-amine is sourced from PubChem (CID 158726725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).