5-[4-[2-(2-aminoethoxy)ethyl]piperazin-1-yl]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]pyrimidine-2-carboxamide;hydrochloride

C26H33ClN8O5 — CID 172897850

About 5-[4-[2-(2-aminoethoxy)ethyl]piperazin-1-yl]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]pyrimidine-2-carboxamide;hydrochloride

5-[4-[2-(2-aminoethoxy)ethyl]piperazin-1-yl]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]pyrimidine-2-carboxamide;hydrochloride (PubChem CID 172897850) has the molecular formula C26H33ClN8O5 and a molecular weight of 573.05 g/mol. Its IUPAC name is 5-[4-[2-(2-aminoethoxy)ethyl]piperazin-1-yl]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]pyrimidine-2-carboxamide;hydrochloride.

Molecular Properties

• Compound Name: 5-[4-[2-(2-aminoethoxy)ethyl]piperazin-1-yl]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]pyrimidine-2-carboxamide;hydrochloride
• PubChem CID: 172897850
• Molecular Formula: C26H33ClN8O5
• Molecular Weight: 573.05 g/mol
• Exact Mass: 572.23
• IUPAC Name: 5-[4-[2-(2-aminoethoxy)ethyl]piperazin-1-yl]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]pyrimidine-2-carboxamide;hydrochloride
• SMILES: Cl.NCCOCCN1CCN(c2cnc(C(=O)Nc3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)nc2)CC1
• InChI: InChI=1S/C26H32N8O5.ClH/c27-5-11-39-12-10-32-6-8-33(9-7-32)19-14-28-23(29-15-19)25(37)30-18-1-2-20-17(13-18)16-34(26(20)38)21-3-4-22(35)31-24(21)36;/h1-2,13-15,21H,3-12,16,27H2,(H,30,37)(H,31,35,36);1H
• InChIKey: VEHCGTYYGZOLLK-UHFFFAOYSA-N
• XLogP: 0.01
• TPSA: 163.09 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	573.05
LogP ≤ 5	0.01
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[4-[2-(2-aminoethoxy)ethyl]piperazin-1-yl]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]pyrimidine-2-carboxamide;hydrochloride?

The IUPAC name of 5-[4-[2-(2-aminoethoxy)ethyl]piperazin-1-yl]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]pyrimidine-2-carboxamide;hydrochloride (CID 172897850) is 5-[4-[2-(2-aminoethoxy)ethyl]piperazin-1-yl]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]pyrimidine-2-carboxamide;hydrochloride.

What is the SMILES notation for 5-[4-[2-(2-aminoethoxy)ethyl]piperazin-1-yl]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]pyrimidine-2-carboxamide;hydrochloride?

The canonical SMILES for 5-[4-[2-(2-aminoethoxy)ethyl]piperazin-1-yl]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]pyrimidine-2-carboxamide;hydrochloride is Cl.NCCOCCN1CCN(c2cnc(C(=O)Nc3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)nc2)CC1.

What is the InChIKey of 5-[4-[2-(2-aminoethoxy)ethyl]piperazin-1-yl]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]pyrimidine-2-carboxamide;hydrochloride?

The InChIKey is VEHCGTYYGZOLLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N8O5.ClH/c27-5-11-39-12-10-32-6-8-33(9-7-32)19-14-28-23(29-15-19)25(37)30-18-1-2-20-17(13-18)16-34(26(20)38)21-3-4-22(35)31-24(21)36;/h1-2,13-15,21H,3-12,16,27H2,(H,30,37)(H,31,35,36);1H.

What are the key properties of 5-[4-[2-(2-aminoethoxy)ethyl]piperazin-1-yl]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]pyrimidine-2-carboxamide;hydrochloride?

5-[4-[2-(2-aminoethoxy)ethyl]piperazin-1-yl]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]pyrimidine-2-carboxamide;hydrochloride has a molecular weight of 573.05 g/mol, XLogP of 0.01, 9 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-[2-(2-aminoethoxy)ethyl]piperazin-1-yl]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]pyrimidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 172897850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).