N-(5-piperazin-1-yl-2-pyridinyl)-4-(1,1,5-trimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)pyrimidin-2-amine

C26H30N8 — CID 158383331

About N-(5-piperazin-1-yl-2-pyridinyl)-4-(1,1,5-trimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)pyrimidin-2-amine

N-(5-piperazin-1-yl-2-pyridinyl)-4-(1,1,5-trimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)pyrimidin-2-amine (PubChem CID 158383331) has the molecular formula C26H30N8 and a molecular weight of 454.58 g/mol. Its IUPAC name is N-(5-piperazin-1-yl-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-piperazin-1-yl-2-pyridinyl)-4-(1,1,5-trimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)pyrimidin-2-amine
• PubChem CID: 158383331
• Molecular Formula: C26H30N8
• Molecular Weight: 454.58 g/mol
• Exact Mass: 454.26
• IUPAC Name: N-(5-piperazin-1-yl-2-pyridinyl)-4-(1,1,5-trimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)pyrimidin-2-amine
• SMILES: Cc1cc(-c2ccnc(Nc3ccc(N4CCNCC4)cn3)n2)cc2c1nc1n2C(C)(C)CC1
• InChI: InChI=1S/C26H30N8/c1-17-14-18(15-21-24(17)32-23-6-8-26(2,3)34(21)23)20-7-9-28-25(30-20)31-22-5-4-19(16-29-22)33-12-10-27-11-13-33/h4-5,7,9,14-16,27H,6,8,10-13H2,1-3H3,(H,28,29,30,31)
• InChIKey: ZPUGONZOAJJGLJ-UHFFFAOYSA-N
• XLogP: 4.03
• TPSA: 83.79 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	454.58
LogP ≤ 5	4.03
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-(5-piperazin-1-yl-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-piperazin-1-yl-2-pyridinyl)-4-(1,1,5-trimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)pyrimidin-2-amine (CID 158383331) is N-(5-piperazin-1-yl-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-piperazin-1-yl-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-piperazin-1-yl-2-pyridinyl)-4-(1,1,5-trimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)pyrimidin-2-amine is Cc1cc(-c2ccnc(Nc3ccc(N4CCNCC4)cn3)n2)cc2c1nc1n2C(C)(C)CC1.

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

The InChIKey is ZPUGONZOAJJGLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N8/c1-17-14-18(15-21-24(17)32-23-6-8-26(2,3)34(21)23)20-7-9-28-25(30-20)31-22-5-4-19(16-29-22)33-12-10-27-11-13-33/h4-5,7,9,14-16,27H,6,8,10-13H2,1-3H3,(H,28,29,30,31).

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

N-(5-piperazin-1-yl-2-pyridinyl)-4-(1,1,5-trimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)pyrimidin-2-amine has a molecular weight of 454.58 g/mol, XLogP of 4.03, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-piperazin-1-yl-2-pyridinyl)-4-(1,1,5-trimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)pyrimidin-2-amine is sourced from PubChem (CID 158383331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).