N'-[2-(furan-2-yl)ethyl]-N-(2-phenylethyl)-4-pyrimidin-2-ylpiperazine-1-carboximidamide

C23H28N6O — CID 111541116

IUPACN'-[2-(furan-2-yl)ethyl]-N-(2-phenylethyl)-4-pyrimidin-2-ylpiperazine-1-carboximidamide
SMILESc1ccc(CCN/C(=N\CCc2ccco2)N2CCN(c3ncccn3)CC2)cc1
InChIInChI=1S/C23H28N6O/c1-2-6-20(7-3-1)9-13-26-23(27-14-10-21-8-4-19-30-21)29-17-15-28(16-18-29)22-24-11-5-12-25-22/h1-8,11-12,19H,9-10,13-18H2,(H,26,27)
InChIKeyRJGHCBQZMXWOFV-UHFFFAOYSA-N
MW404.52 g/mol
LogP2.62
Rot. Bonds7

About N'-[2-(furan-2-yl)ethyl]-N-(2-phenylethyl)-4-pyrimidin-2-ylpiperazine-1-carboximidamide

N'-[2-(furan-2-yl)ethyl]-N-(2-phenylethyl)-4-pyrimidin-2-ylpiperazine-1-carboximidamide (PubChem CID 111541116) has the molecular formula C23H28N6O and a molecular weight of 404.52 g/mol. Its IUPAC name is N'-[2-(furan-2-yl)ethyl]-N-(2-phenylethyl)-4-pyrimidin-2-ylpiperazine-1-carboximidamide.

Molecular Properties

Compound NameN'-[2-(furan-2-yl)ethyl]-N-(2-phenylethyl)-4-pyrimidin-2-ylpiperazine-1-carboximidamide
PubChem CID111541116
Molecular FormulaC23H28N6O
Molecular Weight404.52 g/mol
Exact Mass404.23
IUPAC NameN'-[2-(furan-2-yl)ethyl]-N-(2-phenylethyl)-4-pyrimidin-2-ylpiperazine-1-carboximidamide
SMILESc1ccc(CCN/C(=N\CCc2ccco2)N2CCN(c3ncccn3)CC2)cc1
InChIInChI=1S/C23H28N6O/c1-2-6-20(7-3-1)9-13-26-23(27-14-10-21-8-4-19-30-21)29-17-15-28(16-18-29)22-24-11-5-12-25-22/h1-8,11-12,19H,9-10,13-18H2,(H,26,27)
InChIKeyRJGHCBQZMXWOFV-UHFFFAOYSA-N
XLogP2.62
TPSA69.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.52
LogP ≤ 52.62
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'}

Analyze N'-[2-(furan-2-yl)ethyl]-N-(2-phenylethyl)-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

4-(furan-2-carbonyl)-N'-[2-(furan-2-yl)ethyl]-N-(2-phenylethyl)piperazine-1-carboximidamide
CID 111539277
N-[2-(furan-2-yl)ethyl]-N'-methyl-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 111205223
N-[2-(furan-2-yl)ethyl]-N'-(2-methylpropyl)-4-pyrimidin-2-ylpiperazine-1-carboximidamide
CID 110053396
N'-[2-(furan-2-yl)ethyl]-N-propan-2-yl-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 119139902
N'-(cyclohexylmethyl)-N-[2-(furan-2-yl)ethyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 110053405
N'-[2-(furan-2-yl)ethyl]-4-(2-oxo-2-pyrrolidin-1-ylethyl)-N-(2-phenylethyl)piperazine-1-carboximidamide
CID 110053676
N'-[2-(furan-2-yl)ethyl]-4-[(5-methyl-1,2-oxazol-3-yl)methyl]-N-(2-phenylethyl)piperazine-1-carboximidamide
CID 110053750
N'-[2-(furan-2-yl)ethyl]-4-[(5-methyl-1,2-oxazol-3-yl)methyl]-N-(2-phenylethyl)piperazine-1-carboximidamide;hydroiodide
CID 110053749
N-[2-(furan-2-yl)ethyl]-4-phenyl-N'-propylpiperazine-1-carboximidamide
CID 111493410
N'-[2-(furan-2-yl)ethyl]-4-(morpholine-4-carbonyl)-N-(2-phenylethyl)piperidine-1-carboximidamide
CID 110053616
N-ethyl-N'-(furan-2-ylmethyl)-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 111205123
N'-[2-(furan-2-yl)ethyl]-N-[2-(4-methoxyphenyl)ethyl]pyrrolidine-1-carboximidamide
CID 111492934

Frequently Asked Questions

What is the IUPAC name of N'-[2-(furan-2-yl)ethyl]-N-(2-phenylethyl)-4-pyrimidin-2-ylpiperazine-1-carboximidamide?
The IUPAC name of N'-[2-(furan-2-yl)ethyl]-N-(2-phenylethyl)-4-pyrimidin-2-ylpiperazine-1-carboximidamide (CID 111541116) is N'-[2-(furan-2-yl)ethyl]-N-(2-phenylethyl)-4-pyrimidin-2-ylpiperazine-1-carboximidamide.
What is the SMILES notation for N'-[2-(furan-2-yl)ethyl]-N-(2-phenylethyl)-4-pyrimidin-2-ylpiperazine-1-carboximidamide?
The canonical SMILES for N'-[2-(furan-2-yl)ethyl]-N-(2-phenylethyl)-4-pyrimidin-2-ylpiperazine-1-carboximidamide is c1ccc(CCN/C(=N\CCc2ccco2)N2CCN(c3ncccn3)CC2)cc1.
What is the InChIKey of N'-[2-(furan-2-yl)ethyl]-N-(2-phenylethyl)-4-pyrimidin-2-ylpiperazine-1-carboximidamide?
The InChIKey is RJGHCBQZMXWOFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O/c1-2-6-20(7-3-1)9-13-26-23(27-14-10-21-8-4-19-30-21)29-17-15-28(16-18-29)22-24-11-5-12-25-22/h1-8,11-12,19H,9-10,13-18H2,(H,26,27).
What are the key properties of N'-[2-(furan-2-yl)ethyl]-N-(2-phenylethyl)-4-pyrimidin-2-ylpiperazine-1-carboximidamide?
N'-[2-(furan-2-yl)ethyl]-N-(2-phenylethyl)-4-pyrimidin-2-ylpiperazine-1-carboximidamide has a molecular weight of 404.52 g/mol, XLogP of 2.62, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(furan-2-yl)ethyl]-N-(2-phenylethyl)-4-pyrimidin-2-ylpiperazine-1-carboximidamide is sourced from PubChem (CID 111541116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).