N'-methyl-N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide

C23H34IN7O2 — CID 111207179

About N'-methyl-N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide

N'-methyl-N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide (PubChem CID 111207179) has the molecular formula C23H34IN7O2 and a molecular weight of 567.48 g/mol. Its IUPAC name is N'-methyl-N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide.

Molecular Properties

• Compound Name: N'-methyl-N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide
• PubChem CID: 111207179
• Molecular Formula: C23H34IN7O2
• Molecular Weight: 567.48 g/mol
• Exact Mass: 567.18
• IUPAC Name: N'-methyl-N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide
• SMILES: C/N=C(\NCc1ccccc1OCCN1CCOCC1)N1CCN(c2ncccn2)CC1.I
• InChI: InChI=1S/C23H33N7O2.HI/c1-24-22(29-9-11-30(12-10-29)23-25-7-4-8-26-23)27-19-20-5-2-3-6-21(20)32-18-15-28-13-16-31-17-14-28;/h2-8H,9-19H2,1H3,(H,24,27);1H
• InChIKey: LMURAMODAJXEEV-UHFFFAOYSA-N
• XLogP: 1.70
• TPSA: 78.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	567.48
LogP ≤ 5	1.70
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide?

The IUPAC name of N'-methyl-N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide (CID 111207179) is N'-methyl-N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide.

What is the SMILES notation for N'-methyl-N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide?

The canonical SMILES for N'-methyl-N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide is C/N=C(\NCc1ccccc1OCCN1CCOCC1)N1CCN(c2ncccn2)CC1.I.

What is the InChIKey of N'-methyl-N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide?

The InChIKey is LMURAMODAJXEEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N7O2.HI/c1-24-22(29-9-11-30(12-10-29)23-25-7-4-8-26-23)27-19-20-5-2-3-6-21(20)32-18-15-28-13-16-31-17-14-28;/h2-8H,9-19H2,1H3,(H,24,27);1H.

What are the key properties of N'-methyl-N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide?

N'-methyl-N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide has a molecular weight of 567.48 g/mol, XLogP of 1.70, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N'-methyl-N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111207179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).