N'-phenyl-4-pyrimidin-2-ylpiperazine-1-carboximidamide

C15H18N6 — CID 62362264

IUPACN'-phenyl-4-pyrimidin-2-ylpiperazine-1-carboximidamide
SMILESN/C(=N\c1ccccc1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C15H18N6/c16-14(19-13-5-2-1-3-6-13)20-9-11-21(12-10-20)15-17-7-4-8-18-15/h1-8H,9-12H2,(H2,16,19)
InChIKeyYSMFUQPYSBDMBL-UHFFFAOYSA-N
MW282.35 g/mol
LogP1.25
Rot. Bonds2

About N'-phenyl-4-pyrimidin-2-ylpiperazine-1-carboximidamide

N'-phenyl-4-pyrimidin-2-ylpiperazine-1-carboximidamide (PubChem CID 62362264) has the molecular formula C15H18N6 and a molecular weight of 282.35 g/mol. Its IUPAC name is N'-phenyl-4-pyrimidin-2-ylpiperazine-1-carboximidamide.

Molecular Properties

Compound NameN'-phenyl-4-pyrimidin-2-ylpiperazine-1-carboximidamide
PubChem CID62362264
Molecular FormulaC15H18N6
Molecular Weight282.35 g/mol
Exact Mass282.16
IUPAC NameN'-phenyl-4-pyrimidin-2-ylpiperazine-1-carboximidamide
SMILESN/C(=N\c1ccccc1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C15H18N6/c16-14(19-13-5-2-1-3-6-13)20-9-11-21(12-10-20)15-17-7-4-8-18-15/h1-8H,9-12H2,(H2,16,19)
InChIKeyYSMFUQPYSBDMBL-UHFFFAOYSA-N
XLogP1.25
TPSA70.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N'-phenyl-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'-(pyridin-2-ylmethyl)-4-pyrimidin-2-ylpiperazine-1-carboximidamide
CID 119117111
N'-(2-phenylsulfanylethyl)-4-pyrimidin-2-ylpiperazine-1-carboximidamide
CID 119117550
N'-[(1-phenyl-1,2,4-triazol-3-yl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide
CID 122096660
N'-[(1-phenylcyclobutyl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 119117895
N'-[(2-bromophenyl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 119118180
N'-(3-hydroxycyclobutyl)-4-pyrimidin-2-ylpiperazine-1-carboximidamide
CID 122098254
N'-(2-phenylsulfanylpropyl)-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 119148330
N'-[(2-phenyl-1,2,4-triazol-3-yl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 120602923
N'-[2-(1,3-dioxoisoindol-2-yl)ethyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 119119813
N'-[(5-phenyl-1H-imidazol-2-yl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 119119479
1,2-bis(4-pyrimidin-2-ylpiperazin-1-yl)ethane-1,2-dione
CID 3412822
4-pyrimidin-2-yl-N'-(quinolin-8-ylmethyl)piperazine-1-carboximidamide
CID 119120834

Frequently Asked Questions

What is the IUPAC name of N'-phenyl-4-pyrimidin-2-ylpiperazine-1-carboximidamide?
The IUPAC name of N'-phenyl-4-pyrimidin-2-ylpiperazine-1-carboximidamide (CID 62362264) is N'-phenyl-4-pyrimidin-2-ylpiperazine-1-carboximidamide.
What is the SMILES notation for N'-phenyl-4-pyrimidin-2-ylpiperazine-1-carboximidamide?
The canonical SMILES for N'-phenyl-4-pyrimidin-2-ylpiperazine-1-carboximidamide is N/C(=N\c1ccccc1)N1CCN(c2ncccn2)CC1.
What is the InChIKey of N'-phenyl-4-pyrimidin-2-ylpiperazine-1-carboximidamide?
The InChIKey is YSMFUQPYSBDMBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6/c16-14(19-13-5-2-1-3-6-13)20-9-11-21(12-10-20)15-17-7-4-8-18-15/h1-8H,9-12H2,(H2,16,19).
What are the key properties of N'-phenyl-4-pyrimidin-2-ylpiperazine-1-carboximidamide?
N'-phenyl-4-pyrimidin-2-ylpiperazine-1-carboximidamide has a molecular weight of 282.35 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-phenyl-4-pyrimidin-2-ylpiperazine-1-carboximidamide is sourced from PubChem (CID 62362264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).