N-ethyl-N'-hexyl-4-pyrimidin-2-ylpiperazine-1-carboximidamide

C17H30N6 — CID 111207964

IUPACN-ethyl-N'-hexyl-4-pyrimidin-2-ylpiperazine-1-carboximidamide
SMILESCCCCCC/N=C(\NCC)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C17H30N6/c1-3-5-6-7-9-19-16(18-4-2)22-12-14-23(15-13-22)17-20-10-8-11-21-17/h8,10-11H,3-7,9,12-15H2,1-2H3,(H,18,19)
InChIKeyCMPGRROZDAKFKD-UHFFFAOYSA-N
MW318.47 g/mol
LogP2.14
Rot. Bonds7

About N-ethyl-N'-hexyl-4-pyrimidin-2-ylpiperazine-1-carboximidamide

N-ethyl-N'-hexyl-4-pyrimidin-2-ylpiperazine-1-carboximidamide (PubChem CID 111207964) has the molecular formula C17H30N6 and a molecular weight of 318.47 g/mol. Its IUPAC name is N-ethyl-N'-hexyl-4-pyrimidin-2-ylpiperazine-1-carboximidamide.

Molecular Properties

Compound NameN-ethyl-N'-hexyl-4-pyrimidin-2-ylpiperazine-1-carboximidamide
PubChem CID111207964
Molecular FormulaC17H30N6
Molecular Weight318.47 g/mol
Exact Mass318.25
IUPAC NameN-ethyl-N'-hexyl-4-pyrimidin-2-ylpiperazine-1-carboximidamide
SMILESCCCCCC/N=C(\NCC)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C17H30N6/c1-3-5-6-7-9-19-16(18-4-2)22-12-14-23(15-13-22)17-20-10-8-11-21-17/h8,10-11H,3-7,9,12-15H2,1-2H3,(H,18,19)
InChIKeyCMPGRROZDAKFKD-UHFFFAOYSA-N
XLogP2.14
TPSA56.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.47
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-ethyl-N'-hexyl-4-pyrimidin-2-ylpiperazine-1-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-(5,5-dimethylhexyl)-N-ethyl-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 111205279
N-ethyl-N'-[3-(4-methylpiperidin-1-yl)propyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide
CID 111206668
N-ethyl-N'-[2-[ethyl(methyl)amino]ethyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide
CID 111207898
N-ethyl-N'-[4-(N-methylanilino)butyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 111206393
N-ethyl-N'-(2-methylsulfonylethyl)-4-pyrimidin-2-ylpiperazine-1-carboximidamide
CID 111205578
N'-(3-cyclohexyloxypropyl)-N-ethyl-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 111207731
N-ethyl-N'-[3-(1-methylpyrazol-4-yl)propyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide
CID 111206238
N-ethyl-N'-[3-(2-oxopyrrolidin-1-yl)propyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide
CID 111205126
N-ethyl-N'-(2-methylsulfonylethyl)-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 111205577
N-ethyl-N'-(2-methylpropyl)-4-pyrimidin-2-ylpiperazine-1-carboximidamide
CID 111207276
methyl 3-[[ethylamino-(4-pyrimidin-2-ylpiperazin-1-yl)methylidene]amino]propanoate;hydroiodide
CID 111207595
N-ethyl-N'-(2-methylpropyl)-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 111207275

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-hexyl-4-pyrimidin-2-ylpiperazine-1-carboximidamide?
The IUPAC name of N-ethyl-N'-hexyl-4-pyrimidin-2-ylpiperazine-1-carboximidamide (CID 111207964) is N-ethyl-N'-hexyl-4-pyrimidin-2-ylpiperazine-1-carboximidamide.
What is the SMILES notation for N-ethyl-N'-hexyl-4-pyrimidin-2-ylpiperazine-1-carboximidamide?
The canonical SMILES for N-ethyl-N'-hexyl-4-pyrimidin-2-ylpiperazine-1-carboximidamide is CCCCCC/N=C(\NCC)N1CCN(c2ncccn2)CC1.
What is the InChIKey of N-ethyl-N'-hexyl-4-pyrimidin-2-ylpiperazine-1-carboximidamide?
The InChIKey is CMPGRROZDAKFKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N6/c1-3-5-6-7-9-19-16(18-4-2)22-12-14-23(15-13-22)17-20-10-8-11-21-17/h8,10-11H,3-7,9,12-15H2,1-2H3,(H,18,19).
What are the key properties of N-ethyl-N'-hexyl-4-pyrimidin-2-ylpiperazine-1-carboximidamide?
N-ethyl-N'-hexyl-4-pyrimidin-2-ylpiperazine-1-carboximidamide has a molecular weight of 318.47 g/mol, XLogP of 2.14, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-hexyl-4-pyrimidin-2-ylpiperazine-1-carboximidamide is sourced from PubChem (CID 111207964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).