N-ethyl-N'-(2-methyl-3-thiophen-2-ylpropyl)-4-pyrimidin-2-ylpiperazine-1-carboximidamide

C19H28N6S — CID 111512370

IUPACN-ethyl-N'-(2-methyl-3-thiophen-2-ylpropyl)-4-pyrimidin-2-ylpiperazine-1-carboximidamide
SMILESCCN/C(=N\CC(C)Cc1cccs1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C19H28N6S/c1-3-20-18(23-15-16(2)14-17-6-4-13-26-17)24-9-11-25(12-10-24)19-21-7-5-8-22-19/h4-8,13,16H,3,9-12,14-15H2,1-2H3,(H,20,23)
InChIKeyRXWHCDUMGSVQGV-UHFFFAOYSA-N
MW372.54 g/mol
LogP2.50
Rot. Bonds6

About N-ethyl-N'-(2-methyl-3-thiophen-2-ylpropyl)-4-pyrimidin-2-ylpiperazine-1-carboximidamide

N-ethyl-N'-(2-methyl-3-thiophen-2-ylpropyl)-4-pyrimidin-2-ylpiperazine-1-carboximidamide (PubChem CID 111512370) has the molecular formula C19H28N6S and a molecular weight of 372.54 g/mol. Its IUPAC name is N-ethyl-N'-(2-methyl-3-thiophen-2-ylpropyl)-4-pyrimidin-2-ylpiperazine-1-carboximidamide.

Molecular Properties

Compound NameN-ethyl-N'-(2-methyl-3-thiophen-2-ylpropyl)-4-pyrimidin-2-ylpiperazine-1-carboximidamide
PubChem CID111512370
Molecular FormulaC19H28N6S
Molecular Weight372.54 g/mol
Exact Mass372.21
IUPAC NameN-ethyl-N'-(2-methyl-3-thiophen-2-ylpropyl)-4-pyrimidin-2-ylpiperazine-1-carboximidamide
SMILESCCN/C(=N\CC(C)Cc1cccs1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C19H28N6S/c1-3-20-18(23-15-16(2)14-17-6-4-13-26-17)24-9-11-25(12-10-24)19-21-7-5-8-22-19/h4-8,13,16H,3,9-12,14-15H2,1-2H3,(H,20,23)
InChIKeyRXWHCDUMGSVQGV-UHFFFAOYSA-N
XLogP2.50
TPSA56.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.54
LogP ≤ 52.50
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'}

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Related Compounds

N-ethyl-4-pyrimidin-2-yl-N'-(2-thiophen-2-ylethyl)piperazine-1-carboximidamide;hydroiodide
CID 111206217
N-ethyl-N'-(2-methylpropyl)-4-pyrimidin-2-ylpiperazine-1-carboximidamide
CID 111207276
N-ethyl-N'-(2-methylpropyl)-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 111207275
N-ethyl-N'-(2-methyl-3-piperidin-1-ylpropyl)-4-pyrimidin-2-ylpiperazine-1-carboximidamide
CID 111207766
N-ethyl-N'-(2-phenylpropyl)-4-pyrimidin-2-ylpiperazine-1-carboximidamide
CID 111206958
N'-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-N-ethyl-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 111205039
N-ethyl-N'-(2-ethylbutyl)-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 111983910
N'-[2-(diethylamino)propyl]-N-ethyl-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 111206429
N-ethyl-N'-[2-(4-phenylpiperazin-1-yl)propyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 111206497
N-ethyl-N'-(2-phenylsulfanylpropyl)-4-pyrimidin-2-ylpiperazine-1-carboximidamide
CID 111496108
N-ethyl-4-pyrimidin-2-yl-N'-(3,3,3-trifluoro-2-hydroxypropyl)piperazine-1-carboximidamide
CID 119130694
N'-[2-(dimethylamino)-2-phenylethyl]-N-ethyl-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 111206539

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-(2-methyl-3-thiophen-2-ylpropyl)-4-pyrimidin-2-ylpiperazine-1-carboximidamide?
The IUPAC name of N-ethyl-N'-(2-methyl-3-thiophen-2-ylpropyl)-4-pyrimidin-2-ylpiperazine-1-carboximidamide (CID 111512370) is N-ethyl-N'-(2-methyl-3-thiophen-2-ylpropyl)-4-pyrimidin-2-ylpiperazine-1-carboximidamide.
What is the SMILES notation for N-ethyl-N'-(2-methyl-3-thiophen-2-ylpropyl)-4-pyrimidin-2-ylpiperazine-1-carboximidamide?
The canonical SMILES for N-ethyl-N'-(2-methyl-3-thiophen-2-ylpropyl)-4-pyrimidin-2-ylpiperazine-1-carboximidamide is CCN/C(=N\CC(C)Cc1cccs1)N1CCN(c2ncccn2)CC1.
What is the InChIKey of N-ethyl-N'-(2-methyl-3-thiophen-2-ylpropyl)-4-pyrimidin-2-ylpiperazine-1-carboximidamide?
The InChIKey is RXWHCDUMGSVQGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6S/c1-3-20-18(23-15-16(2)14-17-6-4-13-26-17)24-9-11-25(12-10-24)19-21-7-5-8-22-19/h4-8,13,16H,3,9-12,14-15H2,1-2H3,(H,20,23).
What are the key properties of N-ethyl-N'-(2-methyl-3-thiophen-2-ylpropyl)-4-pyrimidin-2-ylpiperazine-1-carboximidamide?
N-ethyl-N'-(2-methyl-3-thiophen-2-ylpropyl)-4-pyrimidin-2-ylpiperazine-1-carboximidamide has a molecular weight of 372.54 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-(2-methyl-3-thiophen-2-ylpropyl)-4-pyrimidin-2-ylpiperazine-1-carboximidamide is sourced from PubChem (CID 111512370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).