5-[7-(3-tert-butylbenzimidazol-5-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]-N-cyclopropylpyrimidin-2-amine

C24H24N8 — CID 122670278

About 5-[7-(3-tert-butylbenzimidazol-5-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]-N-cyclopropylpyrimidin-2-amine

5-[7-(3-tert-butylbenzimidazol-5-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]-N-cyclopropylpyrimidin-2-amine (PubChem CID 122670278) has the molecular formula C24H24N8 and a molecular weight of 424.51 g/mol. Its IUPAC name is 5-[7-(3-tert-butylbenzimidazol-5-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]-N-cyclopropylpyrimidin-2-amine.

Molecular Properties

• Compound Name: 5-[7-(3-tert-butylbenzimidazol-5-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]-N-cyclopropylpyrimidin-2-amine
• PubChem CID: 122670278
• Molecular Formula: C24H24N8
• Molecular Weight: 424.51 g/mol
• Exact Mass: 424.21
• IUPAC Name: 5-[7-(3-tert-butylbenzimidazol-5-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]-N-cyclopropylpyrimidin-2-amine
• SMILES: CC(C)(C)n1cnc2ccc(-c3c[nH]c4ncc(-c5cnc(NC6CC6)nc5)nc34)cc21
• InChI: InChI=1S/C24H24N8/c1-24(2,3)32-13-29-18-7-4-14(8-20(18)32)17-11-25-22-21(17)31-19(12-26-22)15-9-27-23(28-10-15)30-16-5-6-16/h4,7-13,16H,5-6H2,1-3H3,(H,25,26)(H,27,28,30)
• InChIKey: FNJLTXWJBJSOCE-UHFFFAOYSA-N
• XLogP: 4.76
• TPSA: 97.20 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	424.51
LogP ≤ 5	4.76
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-[7-(3-tert-butylbenzimidazol-5-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]-N-cyclopropylpyrimidin-2-amine?

The IUPAC name of 5-[7-(3-tert-butylbenzimidazol-5-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]-N-cyclopropylpyrimidin-2-amine (CID 122670278) is 5-[7-(3-tert-butylbenzimidazol-5-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]-N-cyclopropylpyrimidin-2-amine.

What is the SMILES notation for 5-[7-(3-tert-butylbenzimidazol-5-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]-N-cyclopropylpyrimidin-2-amine?

The canonical SMILES for 5-[7-(3-tert-butylbenzimidazol-5-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]-N-cyclopropylpyrimidin-2-amine is CC(C)(C)n1cnc2ccc(-c3c[nH]c4ncc(-c5cnc(NC6CC6)nc5)nc34)cc21.

What is the InChIKey of 5-[7-(3-tert-butylbenzimidazol-5-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]-N-cyclopropylpyrimidin-2-amine?

The InChIKey is FNJLTXWJBJSOCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N8/c1-24(2,3)32-13-29-18-7-4-14(8-20(18)32)17-11-25-22-21(17)31-19(12-26-22)15-9-27-23(28-10-15)30-16-5-6-16/h4,7-13,16H,5-6H2,1-3H3,(H,25,26)(H,27,28,30).

What are the key properties of 5-[7-(3-tert-butylbenzimidazol-5-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]-N-cyclopropylpyrimidin-2-amine?

5-[7-(3-tert-butylbenzimidazol-5-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]-N-cyclopropylpyrimidin-2-amine has a molecular weight of 424.51 g/mol, XLogP of 4.76, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[7-(3-tert-butylbenzimidazol-5-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]-N-cyclopropylpyrimidin-2-amine is sourced from PubChem (CID 122670278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).