N-[5-(4-aminopiperazin-1-yl)-2-pyridinyl]-5-fluoro-4-(1,1,5-trimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)pyrimidin-2-amine;5-fluoro-N-[6-methyl-5-(piperazin-1-ylmethyl)-2-pyridinyl]-4-(1,1,5-trimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)pyrimidin-2-amine;5-fluoro-N-(6-methyl-5-piperazin-1-yl-2-pyridinyl)-4-(1,1,5-trimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)pyrimidin-2-amine;5-fluoro-N-[6-methyl-5-(piperidin-4-ylmethyl)-2-pyridinyl]-4-(1,1,5-trimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)pyrimidin-2-amine

C110H128F4N32 — CID 162184242

About N-[5-(4-aminopiperazin-1-yl)-2-pyridinyl]-5-fluoro-4-(1,1,5-trimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)pyrimidin-2-amine;5-fluoro-N-[6-methyl-5-(piperazin-1-ylmethyl)-2-pyridinyl]-4-(1,1,5-trimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)pyrimidin-2-amine;5-fluoro-N-(6-methyl-5-piperazin-1-yl-2-pyridinyl)-4-(1,1,5-trimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)pyrimidin-2-amine;5-fluoro-N-[6-methyl-5-(piperidin-4-ylmethyl)-2-pyridinyl]-4-(1,1,5-trimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)pyrimidin-2-amine

N-[5-(4-aminopiperazin-1-yl)-2-pyridinyl]-5-fluoro-4-(1,1,5-trimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)pyrimidin-2-amine;5-fluoro-N-[6-methyl-5-(piperazin-1-ylmethyl)-2-pyridinyl]-4-(1,1,5-trimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)pyrimidin-2-amine;5-fluoro-N-(6-methyl-5-piperazin-1-yl-2-pyridinyl)-4-(1,1,5-trimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)pyrimidin-2-amine;5-fluoro-N-[6-methyl-5-(piperidin-4-ylmethyl)-2-pyridinyl]-4-(1,1,5-trimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)pyrimidin-2-amine (PubChem CID 162184242) has the molecular formula C110H128F4N32 and a molecular weight of 1974.45 g/mol. Its IUPAC name is N-[5-(4-aminopiperazin-1-yl)-2-pyridinyl]-5-fluoro-4-(1,1,5-trimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)pyrimidin-2-amine;5-fluoro-N-[6-methyl-5-(piperazin-1-ylmethyl)-2-pyridinyl]-4-(1,1,5-trimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)pyrimidin-2-amine;5-fluoro-N-(6-methyl-5-piperazin-1-yl-2-pyridinyl)-4-(1,1,5-trimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)pyrimidin-2-amine;5-fluoro-N-[6-methyl-5-(piperidin-4-ylmethyl)-2-pyridinyl]-4-(1,1,5-trimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)pyrimidin-2-amine.

Molecular Properties

• Compound Name: N-[5-(4-aminopiperazin-1-yl)-2-pyridinyl]-5-fluoro-4-(1,1,5-trimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)pyrimidin-2-amine;5-fluoro-N-[6-methyl-5-(piperazin-1-ylmethyl)-2-pyridinyl]-4-(1,1,5-trimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)pyrimidin-2-amine;5-fluoro-N-(6-methyl-5-piperazin-1-yl-2-pyridinyl)-4-(1,1,5-trimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)pyrimidin-2-amine;5-fluoro-N-[6-methyl-5-(piperidin-4-ylmethyl)-2-pyridinyl]-4-(1,1,5-trimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)pyrimidin-2-amine
• PubChem CID: 162184242
• Molecular Formula: C110H128F4N32
• Molecular Weight: 1974.45 g/mol
• Exact Mass: 1973.09
• IUPAC Name: N-[5-(4-aminopiperazin-1-yl)-2-pyridinyl]-5-fluoro-4-(1,1,5-trimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)pyrimidin-2-amine;5-fluoro-N-[6-methyl-5-(piperazin-1-ylmethyl)-2-pyridinyl]-4-(1,1,5-trimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)pyrimidin-2-amine;5-fluoro-N-(6-methyl-5-piperazin-1-yl-2-pyridinyl)-4-(1,1,5-trimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)pyrimidin-2-amine;5-fluoro-N-[6-methyl-5-(piperidin-4-ylmethyl)-2-pyridinyl]-4-(1,1,5-trimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)pyrimidin-2-amine
• SMILES: Cc1cc(-c2nc(Nc3ccc(N4CCN(N)CC4)cn3)ncc2F)cc2c1nc1n2C(C)(C)CC1.Cc1nc(Nc2ncc(F)c(-c3cc(C)c4nc5n(c4c3)C(C)(C)CC5)n2)ccc1CC1CCNCC1.Cc1nc(Nc2ncc(F)c(-c3cc(C)c4nc5n(c4c3)C(C)(C)CC5)n2)ccc1CN1CCNCC1.Cc1nc(Nc2ncc(F)c(-c3cc(C)c4nc5n(c4c3)C(C)(C)CC5)n2)ccc1N1CCNCC1
• InChI: InChI=1S/C29H34FN7.C28H33FN8.C27H31FN8.C26H30FN9/c1-17-13-21(15-23-26(17)35-25-7-10-29(3,4)37(23)25)27-22(30)16-32-28(36-27)34-24-6-5-20(18(2)33-24)14-19-8-11-31-12-9-19;1-17-13-20(14-22-25(17)34-24-7-8-28(3,4)37(22)24)26-21(29)15-31-27(35-26)33-23-6-5-19(18(2)32-23)16-36-11-9-30-10-12-36;1-16-13-18(14-21-24(16)33-23-7-8-27(3,4)36(21)23)25-19(28)15-30-26(34-25)32-22-6-5-20(17(2)31-22)35-11-9-29-10-12-35;1-16-12-17(13-20-23(16)32-22-6-7-26(2,3)36(20)22)24-19(27)15-30-25(33-24)31-21-5-4-18(14-29-21)34-8-10-35(28)11-9-34/h5-6,13,15-16,19,31H,7-12,14H2,1-4H3,(H,32,33,34,36);5-6,13-15,30H,7-12,16H2,1-4H3,(H,31,32,33,35);5-6,13-15,29H,7-12H2,1-4H3,(H,30,31,32,34);4-5,12-15H,6-11,28H2,1-3H3,(H,29,30,31,33)
• InChIKey: ZPLGLDKYAMINPX-UHFFFAOYSA-N
• XLogP: 18.32
• TPSA: 349.15 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 32
• Rotatable Bonds: 18
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1974.45
LogP ≤ 5	18.32
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydrazine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-aminopiperazin-1-yl)-2-pyridinyl]-5-fluoro-4-(1,1,5-trimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)pyrimidin-2-amine;5-fluoro-N-[6-methyl-5-(piperazin-1-ylmethyl)-2-pyridinyl]-4-(1,1,5-trimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)pyrimidin-2-amine;5-fluoro-N-(6-methyl-5-piperazin-1-yl-2-pyridinyl)-4-(1,1,5-trimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)pyrimidin-2-amine;5-fluoro-N-[6-methyl-5-(piperidin-4-ylmethyl)-2-pyridinyl]-4-(1,1,5-trimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)pyrimidin-2-amine?

The IUPAC name of N-[5-(4-aminopiperazin-1-yl)-2-pyridinyl]-5-fluoro-4-(1,1,5-trimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)pyrimidin-2-amine;5-fluoro-N-[6-methyl-5-(piperazin-1-ylmethyl)-2-pyridinyl]-4-(1,1,5-trimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)pyrimidin-2-amine;5-fluoro-N-(6-methyl-5-piperazin-1-yl-2-pyridinyl)-4-(1,1,5-trimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)pyrimidin-2-amine;5-fluoro-N-[6-methyl-5-(piperidin-4-ylmethyl)-2-pyridinyl]-4-(1,1,5-trimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)pyrimidin-2-amine (CID 162184242) is N-[5-(4-aminopiperazin-1-yl)-2-pyridinyl]-5-fluoro-4-(1,1,5-trimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)pyrimidin-2-amine;5-fluoro-N-[6-methyl-5-(piperazin-1-ylmethyl)-2-pyridinyl]-4-(1,1,5-trimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)pyrimidin-2-amine;5-fluoro-N-(6-methyl-5-piperazin-1-yl-2-pyridinyl)-4-(1,1,5-trimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)pyrimidin-2-amine;5-fluoro-N-[6-methyl-5-(piperidin-4-ylmethyl)-2-pyridinyl]-4-(1,1,5-trimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)pyrimidin-2-amine.

What is the SMILES notation for N-[5-(4-aminopiperazin-1-yl)-2-pyridinyl]-5-fluoro-4-(1,1,5-trimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)pyrimidin-2-amine;5-fluoro-N-[6-methyl-5-(piperazin-1-ylmethyl)-2-pyridinyl]-4-(1,1,5-trimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)pyrimidin-2-amine;5-fluoro-N-(6-methyl-5-piperazin-1-yl-2-pyridinyl)-4-(1,1,5-trimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)pyrimidin-2-amine;5-fluoro-N-[6-methyl-5-(piperidin-4-ylmethyl)-2-pyridinyl]-4-(1,1,5-trimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)pyrimidin-2-amine?

The canonical SMILES for N-[5-(4-aminopiperazin-1-yl)-2-pyridinyl]-5-fluoro-4-(1,1,5-trimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)pyrimidin-2-amine;5-fluoro-N-[6-methyl-5-(piperazin-1-ylmethyl)-2-pyridinyl]-4-(1,1,5-trimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)pyrimidin-2-amine;5-fluoro-N-(6-methyl-5-piperazin-1-yl-2-pyridinyl)-4-(1,1,5-trimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)pyrimidin-2-amine;5-fluoro-N-[6-methyl-5-(piperidin-4-ylmethyl)-2-pyridinyl]-4-(1,1,5-trimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)pyrimidin-2-amine is Cc1cc(-c2nc(Nc3ccc(N4CCN(N)CC4)cn3)ncc2F)cc2c1nc1n2C(C)(C)CC1.Cc1nc(Nc2ncc(F)c(-c3cc(C)c4nc5n(c4c3)C(C)(C)CC5)n2)ccc1CC1CCNCC1.Cc1nc(Nc2ncc(F)c(-c3cc(C)c4nc5n(c4c3)C(C)(C)CC5)n2)ccc1CN1CCNCC1.Cc1nc(Nc2ncc(F)c(-c3cc(C)c4nc5n(c4c3)C(C)(C)CC5)n2)ccc1N1CCNCC1.

What is the InChIKey of N-[5-(4-aminopiperazin-1-yl)-2-pyridinyl]-5-fluoro-4-(1,1,5-trimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)pyrimidin-2-amine;5-fluoro-N-[6-methyl-5-(piperazin-1-ylmethyl)-2-pyridinyl]-4-(1,1,5-trimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)pyrimidin-2-amine;5-fluoro-N-(6-methyl-5-piperazin-1-yl-2-pyridinyl)-4-(1,1,5-trimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)pyrimidin-2-amine;5-fluoro-N-[6-methyl-5-(piperidin-4-ylmethyl)-2-pyridinyl]-4-(1,1,5-trimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)pyrimidin-2-amine?

The InChIKey is ZPLGLDKYAMINPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34FN7.C28H33FN8.C27H31FN8.C26H30FN9/c1-17-13-21(15-23-26(17)35-25-7-10-29(3,4)37(23)25)27-22(30)16-32-28(36-27)34-24-6-5-20(18(2)33-24)14-19-8-11-31-12-9-19;1-17-13-20(14-22-25(17)34-24-7-8-28(3,4)37(22)24)26-21(29)15-31-27(35-26)33-23-6-5-19(18(2)32-23)16-36-11-9-30-10-12-36;1-16-13-18(14-21-24(16)33-23-7-8-27(3,4)36(21)23)25-19(28)15-30-26(34-25)32-22-6-5-20(17(2)31-22)35-11-9-29-10-12-35;1-16-12-17(13-20-23(16)32-22-6-7-26(2,3)36(20)22)24-19(27)15-30-25(33-24)31-21-5-4-18(14-29-21)34-8-10-35(28)11-9-34/h5-6,13,15-16,19,31H,7-12,14H2,1-4H3,(H,32,33,34,36);5-6,13-15,30H,7-12,16H2,1-4H3,(H,31,32,33,35);5-6,13-15,29H,7-12H2,1-4H3,(H,30,31,32,34);4-5,12-15H,6-11,28H2,1-3H3,(H,29,30,31,33).

What are the key properties of N-[5-(4-aminopiperazin-1-yl)-2-pyridinyl]-5-fluoro-4-(1,1,5-trimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)pyrimidin-2-amine;5-fluoro-N-[6-methyl-5-(piperazin-1-ylmethyl)-2-pyridinyl]-4-(1,1,5-trimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)pyrimidin-2-amine;5-fluoro-N-(6-methyl-5-piperazin-1-yl-2-pyridinyl)-4-(1,1,5-trimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)pyrimidin-2-amine;5-fluoro-N-[6-methyl-5-(piperidin-4-ylmethyl)-2-pyridinyl]-4-(1,1,5-trimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)pyrimidin-2-amine?

N-[5-(4-aminopiperazin-1-yl)-2-pyridinyl]-5-fluoro-4-(1,1,5-trimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)pyrimidin-2-amine;5-fluoro-N-[6-methyl-5-(piperazin-1-ylmethyl)-2-pyridinyl]-4-(1,1,5-trimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)pyrimidin-2-amine;5-fluoro-N-(6-methyl-5-piperazin-1-yl-2-pyridinyl)-4-(1,1,5-trimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)pyrimidin-2-amine;5-fluoro-N-[6-methyl-5-(piperidin-4-ylmethyl)-2-pyridinyl]-4-(1,1,5-trimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)pyrimidin-2-amine has a molecular weight of 1974.45 g/mol, XLogP of 18.32, 18 rotatable bonds, 8 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-(4-aminopiperazin-1-yl)-2-pyridinyl]-5-fluoro-4-(1,1,5-trimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)pyrimidin-2-amine;5-fluoro-N-[6-methyl-5-(piperazin-1-ylmethyl)-2-pyridinyl]-4-(1,1,5-trimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)pyrimidin-2-amine;5-fluoro-N-(6-methyl-5-piperazin-1-yl-2-pyridinyl)-4-(1,1,5-trimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)pyrimidin-2-amine;5-fluoro-N-[6-methyl-5-(piperidin-4-ylmethyl)-2-pyridinyl]-4-(1,1,5-trimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)pyrimidin-2-amine is sourced from PubChem (CID 162184242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).