N-ethyl-4-pyrimidin-2-yl-N'-(2-thiophen-2-ylethyl)piperazine-1-carboximidamide;hydroiodide

C17H25IN6S — CID 111206217

IUPACN-ethyl-4-pyrimidin-2-yl-N'-(2-thiophen-2-ylethyl)piperazine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\CCc1cccs1)N1CCN(c2ncccn2)CC1.I
InChIInChI=1S/C17H24N6S.HI/c1-2-18-16(21-9-6-15-5-3-14-24-15)22-10-12-23(13-11-22)17-19-7-4-8-20-17;/h3-5,7-8,14H,2,6,9-13H2,1H3,(H,18,21);1H
InChIKeyLTROXSQMHSIYSC-UHFFFAOYSA-N
MW472.40 g/mol
LogP2.49
Rot. Bonds5

About N-ethyl-4-pyrimidin-2-yl-N'-(2-thiophen-2-ylethyl)piperazine-1-carboximidamide;hydroiodide

N-ethyl-4-pyrimidin-2-yl-N'-(2-thiophen-2-ylethyl)piperazine-1-carboximidamide;hydroiodide (PubChem CID 111206217) has the molecular formula C17H25IN6S and a molecular weight of 472.40 g/mol. Its IUPAC name is N-ethyl-4-pyrimidin-2-yl-N'-(2-thiophen-2-ylethyl)piperazine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN-ethyl-4-pyrimidin-2-yl-N'-(2-thiophen-2-ylethyl)piperazine-1-carboximidamide;hydroiodide
PubChem CID111206217
Molecular FormulaC17H25IN6S
Molecular Weight472.40 g/mol
Exact Mass472.09
IUPAC NameN-ethyl-4-pyrimidin-2-yl-N'-(2-thiophen-2-ylethyl)piperazine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\CCc1cccs1)N1CCN(c2ncccn2)CC1.I
InChIInChI=1S/C17H24N6S.HI/c1-2-18-16(21-9-6-15-5-3-14-24-15)22-10-12-23(13-11-22)17-19-7-4-8-20-17;/h3-5,7-8,14H,2,6,9-13H2,1H3,(H,18,21);1H
InChIKeyLTROXSQMHSIYSC-UHFFFAOYSA-N
XLogP2.49
TPSA56.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.40
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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'}

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Related Compounds

N'-[2-(5-bromothiophen-2-yl)ethyl]-N-ethyl-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 111206441
N-ethyl-N'-(2-methyl-3-thiophen-2-ylpropyl)-4-pyrimidin-2-ylpiperazine-1-carboximidamide
CID 111512370
N-ethyl-4-(2-hydroxyphenyl)-N'-(2-thiophen-2-ylethyl)piperazine-1-carboximidamide;hydroiodide
CID 111185675
N'-[2-(2-ethoxyphenyl)ethyl]-N-ethyl-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 111207699
N-ethyl-N'-(2-methylsulfonylethyl)-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 111205577
N'-[(5-bromothiophen-2-yl)methyl]-N-ethyl-4-pyrimidin-2-ylpiperazine-1-carboximidamide
CID 111205716
methyl 3-[[ethylamino-(4-pyrimidin-2-ylpiperazin-1-yl)methylidene]amino]propanoate;hydroiodide
CID 111207595
N-ethyl-N'-[2-(3-hydroxyphenyl)ethyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide
CID 111206514
N-ethyl-4-pyrimidin-2-yl-N'-(2-quinolin-8-ylethyl)piperazine-1-carboximidamide
CID 111206292
N-ethyl-N'-(2-methylsulfonylethyl)-4-pyrimidin-2-ylpiperazine-1-carboximidamide
CID 111205578
N-ethyl-N'-hexyl-4-pyrimidin-2-ylpiperazine-1-carboximidamide
CID 111207964
N-ethyl-4-pyrimidin-2-yl-N'-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]piperazine-1-carboximidamide;hydroiodide
CID 111206619

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-pyrimidin-2-yl-N'-(2-thiophen-2-ylethyl)piperazine-1-carboximidamide;hydroiodide?
The IUPAC name of N-ethyl-4-pyrimidin-2-yl-N'-(2-thiophen-2-ylethyl)piperazine-1-carboximidamide;hydroiodide (CID 111206217) is N-ethyl-4-pyrimidin-2-yl-N'-(2-thiophen-2-ylethyl)piperazine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N-ethyl-4-pyrimidin-2-yl-N'-(2-thiophen-2-ylethyl)piperazine-1-carboximidamide;hydroiodide?
The canonical SMILES for N-ethyl-4-pyrimidin-2-yl-N'-(2-thiophen-2-ylethyl)piperazine-1-carboximidamide;hydroiodide is CCN/C(=N\CCc1cccs1)N1CCN(c2ncccn2)CC1.I.
What is the InChIKey of N-ethyl-4-pyrimidin-2-yl-N'-(2-thiophen-2-ylethyl)piperazine-1-carboximidamide;hydroiodide?
The InChIKey is LTROXSQMHSIYSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6S.HI/c1-2-18-16(21-9-6-15-5-3-14-24-15)22-10-12-23(13-11-22)17-19-7-4-8-20-17;/h3-5,7-8,14H,2,6,9-13H2,1H3,(H,18,21);1H.
What are the key properties of N-ethyl-4-pyrimidin-2-yl-N'-(2-thiophen-2-ylethyl)piperazine-1-carboximidamide;hydroiodide?
N-ethyl-4-pyrimidin-2-yl-N'-(2-thiophen-2-ylethyl)piperazine-1-carboximidamide;hydroiodide has a molecular weight of 472.40 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-pyrimidin-2-yl-N'-(2-thiophen-2-ylethyl)piperazine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111206217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).