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

C132H152F10N30O5 — CID 162260037

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

N-(3-tert-butyl-2H-pyrrol-5-yl)-4-[(4,6-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine;N-(3-tert-butyl-2H-pyrrol-5-yl)-6-[(4,6-difluoro-2-methyl-1H-inden-5-yl)oxy]-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine;N-(3-cyclopropyl-2H-pyrrol-5-yl)-6-[(4,6-difluoro-2-methyl-1H-inden-5-yl)oxy]-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine;6-[(4,6-difluoro-2-methyl-1H-inden-5-yl)oxy]-2-(4-methylpiperazin-1-yl)-N-(3-propan-2-yl-2H-pyrrol-5-yl)pyrimidin-4-amine;6-[(4,6-difluoro-2-methyl-1H-inden-5-yl)oxy]-2-(4-methylpiperazin-1-yl)-N-(3-propyl-2H-pyrrol-5-yl)pyrimidin-4-amine (PubChem CID 162260037) has the molecular formula C132H152F10N30O5 and a molecular weight of 2428.85 g/mol. Its IUPAC name is N-(3-tert-butyl-2H-pyrrol-5-yl)-4-[(4,6-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine;N-(3-tert-butyl-2H-pyrrol-5-yl)-6-[(4,6-difluoro-2-methyl-1H-inden-5-yl)oxy]-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine;N-(3-cyclopropyl-2H-pyrrol-5-yl)-6-[(4,6-difluoro-2-methyl-1H-inden-5-yl)oxy]-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine;6-[(4,6-difluoro-2-methyl-1H-inden-5-yl)oxy]-2-(4-methylpiperazin-1-yl)-N-(3-propan-2-yl-2H-pyrrol-5-yl)pyrimidin-4-amine;6-[(4,6-difluoro-2-methyl-1H-inden-5-yl)oxy]-2-(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)-4-[(4,6-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine;N-(3-tert-butyl-2H-pyrrol-5-yl)-6-[(4,6-difluoro-2-methyl-1H-inden-5-yl)oxy]-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine;N-(3-cyclopropyl-2H-pyrrol-5-yl)-6-[(4,6-difluoro-2-methyl-1H-inden-5-yl)oxy]-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine;6-[(4,6-difluoro-2-methyl-1H-inden-5-yl)oxy]-2-(4-methylpiperazin-1-yl)-N-(3-propan-2-yl-2H-pyrrol-5-yl)pyrimidin-4-amine;6-[(4,6-difluoro-2-methyl-1H-inden-5-yl)oxy]-2-(4-methylpiperazin-1-yl)-N-(3-propyl-2H-pyrrol-5-yl)pyrimidin-4-amine
• PubChem CID: 162260037
• Molecular Formula: C132H152F10N30O5
• Molecular Weight: 2428.85 g/mol
• Exact Mass: 2427.24
• IUPAC Name: N-(3-tert-butyl-2H-pyrrol-5-yl)-4-[(4,6-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine;N-(3-tert-butyl-2H-pyrrol-5-yl)-6-[(4,6-difluoro-2-methyl-1H-inden-5-yl)oxy]-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine;N-(3-cyclopropyl-2H-pyrrol-5-yl)-6-[(4,6-difluoro-2-methyl-1H-inden-5-yl)oxy]-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine;6-[(4,6-difluoro-2-methyl-1H-inden-5-yl)oxy]-2-(4-methylpiperazin-1-yl)-N-(3-propan-2-yl-2H-pyrrol-5-yl)pyrimidin-4-amine;6-[(4,6-difluoro-2-methyl-1H-inden-5-yl)oxy]-2-(4-methylpiperazin-1-yl)-N-(3-propyl-2H-pyrrol-5-yl)pyrimidin-4-amine
• SMILES: CC1=Cc2c(cc(F)c(Oc3cc(N4CCN(C)CC4)nc(NC4=NCC(C(C)(C)C)=C4)n3)c2F)C1.CC1=Cc2c(cc(F)c(Oc3cc(NC4=NCC(C(C)(C)C)=C4)nc(N4CCN(C)CC4)n3)c2F)C1.CC1=Cc2c(cc(F)c(Oc3cc(NC4=NCC(C(C)C)=C4)nc(N4CCN(C)CC4)n3)c2F)C1.CC1=Cc2c(cc(F)c(Oc3cc(NC4=NCC(C5CC5)=C4)nc(N4CCN(C)CC4)n3)c2F)C1.CCCC1=CC(Nc2cc(Oc3c(F)cc4c(c3F)C=C(C)C4)nc(N3CCN(C)CC3)n2)=NC1
• InChI: InChI=1S/2C27H32F2N6O.C26H28F2N6O.2C26H30F2N6O/c1-16-10-17-12-20(28)25(24(29)19(17)11-16)36-23-14-22(35-8-6-34(5)7-9-35)32-26(33-23)31-21-13-18(15-30-21)27(2,3)4;1-16-10-17-12-20(28)25(24(29)19(17)11-16)36-23-14-22(31-21-13-18(15-30-21)27(2,3)4)32-26(33-23)35-8-6-34(5)7-9-35;1-15-9-17-11-20(27)25(24(28)19(17)10-15)35-23-13-22(30-21-12-18(14-29-21)16-3-4-16)31-26(32-23)34-7-5-33(2)6-8-34;1-15(2)18-12-21(29-14-18)30-22-13-23(32-26(31-22)34-7-5-33(4)6-8-34)35-25-20(27)11-17-9-16(3)10-19(17)24(25)28;1-4-5-17-12-21(29-15-17)30-22-14-23(32-26(31-22)34-8-6-33(3)7-9-34)35-25-20(27)13-18-10-16(2)11-19(18)24(25)28/h2*11-14H,6-10,15H2,1-5H3,(H,30,31,32,33);10-13,16H,3-9,14H2,1-2H3,(H,29,30,31,32);10-13,15H,5-9,14H2,1-4H3,(H,29,30,31,32);11-14H,4-10,15H2,1-3H3,(H,29,30,31,32)
• InChIKey: ZZCSPQMFIVYXDW-UHFFFAOYSA-N
• XLogP: 24.00
• TPSA: 329.40 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 35
• Rotatable Bonds: 24
• Heavy Atoms: 177
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2428.85
LogP ≤ 5	24.00
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	35

Frequently Asked Questions

What is the IUPAC name of N-(3-tert-butyl-2H-pyrrol-5-yl)-4-[(4,6-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine;N-(3-tert-butyl-2H-pyrrol-5-yl)-6-[(4,6-difluoro-2-methyl-1H-inden-5-yl)oxy]-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine;N-(3-cyclopropyl-2H-pyrrol-5-yl)-6-[(4,6-difluoro-2-methyl-1H-inden-5-yl)oxy]-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine;6-[(4,6-difluoro-2-methyl-1H-inden-5-yl)oxy]-2-(4-methylpiperazin-1-yl)-N-(3-propan-2-yl-2H-pyrrol-5-yl)pyrimidin-4-amine;6-[(4,6-difluoro-2-methyl-1H-inden-5-yl)oxy]-2-(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)-4-[(4,6-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine;N-(3-tert-butyl-2H-pyrrol-5-yl)-6-[(4,6-difluoro-2-methyl-1H-inden-5-yl)oxy]-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine;N-(3-cyclopropyl-2H-pyrrol-5-yl)-6-[(4,6-difluoro-2-methyl-1H-inden-5-yl)oxy]-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine;6-[(4,6-difluoro-2-methyl-1H-inden-5-yl)oxy]-2-(4-methylpiperazin-1-yl)-N-(3-propan-2-yl-2H-pyrrol-5-yl)pyrimidin-4-amine;6-[(4,6-difluoro-2-methyl-1H-inden-5-yl)oxy]-2-(4-methylpiperazin-1-yl)-N-(3-propyl-2H-pyrrol-5-yl)pyrimidin-4-amine (CID 162260037) is N-(3-tert-butyl-2H-pyrrol-5-yl)-4-[(4,6-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine;N-(3-tert-butyl-2H-pyrrol-5-yl)-6-[(4,6-difluoro-2-methyl-1H-inden-5-yl)oxy]-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine;N-(3-cyclopropyl-2H-pyrrol-5-yl)-6-[(4,6-difluoro-2-methyl-1H-inden-5-yl)oxy]-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine;6-[(4,6-difluoro-2-methyl-1H-inden-5-yl)oxy]-2-(4-methylpiperazin-1-yl)-N-(3-propan-2-yl-2H-pyrrol-5-yl)pyrimidin-4-amine;6-[(4,6-difluoro-2-methyl-1H-inden-5-yl)oxy]-2-(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)-4-[(4,6-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine;N-(3-tert-butyl-2H-pyrrol-5-yl)-6-[(4,6-difluoro-2-methyl-1H-inden-5-yl)oxy]-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine;N-(3-cyclopropyl-2H-pyrrol-5-yl)-6-[(4,6-difluoro-2-methyl-1H-inden-5-yl)oxy]-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine;6-[(4,6-difluoro-2-methyl-1H-inden-5-yl)oxy]-2-(4-methylpiperazin-1-yl)-N-(3-propan-2-yl-2H-pyrrol-5-yl)pyrimidin-4-amine;6-[(4,6-difluoro-2-methyl-1H-inden-5-yl)oxy]-2-(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)-4-[(4,6-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine;N-(3-tert-butyl-2H-pyrrol-5-yl)-6-[(4,6-difluoro-2-methyl-1H-inden-5-yl)oxy]-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine;N-(3-cyclopropyl-2H-pyrrol-5-yl)-6-[(4,6-difluoro-2-methyl-1H-inden-5-yl)oxy]-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine;6-[(4,6-difluoro-2-methyl-1H-inden-5-yl)oxy]-2-(4-methylpiperazin-1-yl)-N-(3-propan-2-yl-2H-pyrrol-5-yl)pyrimidin-4-amine;6-[(4,6-difluoro-2-methyl-1H-inden-5-yl)oxy]-2-(4-methylpiperazin-1-yl)-N-(3-propyl-2H-pyrrol-5-yl)pyrimidin-4-amine is CC1=Cc2c(cc(F)c(Oc3cc(N4CCN(C)CC4)nc(NC4=NCC(C(C)(C)C)=C4)n3)c2F)C1.CC1=Cc2c(cc(F)c(Oc3cc(NC4=NCC(C(C)(C)C)=C4)nc(N4CCN(C)CC4)n3)c2F)C1.CC1=Cc2c(cc(F)c(Oc3cc(NC4=NCC(C(C)C)=C4)nc(N4CCN(C)CC4)n3)c2F)C1.CC1=Cc2c(cc(F)c(Oc3cc(NC4=NCC(C5CC5)=C4)nc(N4CCN(C)CC4)n3)c2F)C1.CCCC1=CC(Nc2cc(Oc3c(F)cc4c(c3F)C=C(C)C4)nc(N3CCN(C)CC3)n2)=NC1.

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

The InChIKey is ZZCSPQMFIVYXDW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C27H32F2N6O.C26H28F2N6O.2C26H30F2N6O/c1-16-10-17-12-20(28)25(24(29)19(17)11-16)36-23-14-22(35-8-6-34(5)7-9-35)32-26(33-23)31-21-13-18(15-30-21)27(2,3)4;1-16-10-17-12-20(28)25(24(29)19(17)11-16)36-23-14-22(31-21-13-18(15-30-21)27(2,3)4)32-26(33-23)35-8-6-34(5)7-9-35;1-15-9-17-11-20(27)25(24(28)19(17)10-15)35-23-13-22(30-21-12-18(14-29-21)16-3-4-16)31-26(32-23)34-7-5-33(2)6-8-34;1-15(2)18-12-21(29-14-18)30-22-13-23(32-26(31-22)34-7-5-33(4)6-8-34)35-25-20(27)11-17-9-16(3)10-19(17)24(25)28;1-4-5-17-12-21(29-15-17)30-22-14-23(32-26(31-22)34-8-6-33(3)7-9-34)35-25-20(27)13-18-10-16(2)11-19(18)24(25)28/h2*11-14H,6-10,15H2,1-5H3,(H,30,31,32,33);10-13,16H,3-9,14H2,1-2H3,(H,29,30,31,32);10-13,15H,5-9,14H2,1-4H3,(H,29,30,31,32);11-14H,4-10,15H2,1-3H3,(H,29,30,31,32).

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

N-(3-tert-butyl-2H-pyrrol-5-yl)-4-[(4,6-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine;N-(3-tert-butyl-2H-pyrrol-5-yl)-6-[(4,6-difluoro-2-methyl-1H-inden-5-yl)oxy]-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine;N-(3-cyclopropyl-2H-pyrrol-5-yl)-6-[(4,6-difluoro-2-methyl-1H-inden-5-yl)oxy]-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine;6-[(4,6-difluoro-2-methyl-1H-inden-5-yl)oxy]-2-(4-methylpiperazin-1-yl)-N-(3-propan-2-yl-2H-pyrrol-5-yl)pyrimidin-4-amine;6-[(4,6-difluoro-2-methyl-1H-inden-5-yl)oxy]-2-(4-methylpiperazin-1-yl)-N-(3-propyl-2H-pyrrol-5-yl)pyrimidin-4-amine has a molecular weight of 2428.85 g/mol, XLogP of 24.00, 24 rotatable bonds, 5 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-tert-butyl-2H-pyrrol-5-yl)-4-[(4,6-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine;N-(3-tert-butyl-2H-pyrrol-5-yl)-6-[(4,6-difluoro-2-methyl-1H-inden-5-yl)oxy]-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine;N-(3-cyclopropyl-2H-pyrrol-5-yl)-6-[(4,6-difluoro-2-methyl-1H-inden-5-yl)oxy]-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine;6-[(4,6-difluoro-2-methyl-1H-inden-5-yl)oxy]-2-(4-methylpiperazin-1-yl)-N-(3-propan-2-yl-2H-pyrrol-5-yl)pyrimidin-4-amine;6-[(4,6-difluoro-2-methyl-1H-inden-5-yl)oxy]-2-(4-methylpiperazin-1-yl)-N-(3-propyl-2H-pyrrol-5-yl)pyrimidin-4-amine is sourced from PubChem (CID 162260037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).