N'-[(1-phenylcyclobutyl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide

C20H27IN6 — CID 119117895

IUPACN'-[(1-phenylcyclobutyl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide
SMILESI.N/C(=N\CC1(c2ccccc2)CCC1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C20H26N6.HI/c21-18(24-16-20(8-4-9-20)17-6-2-1-3-7-17)25-12-14-26(15-13-25)19-22-10-5-11-23-19;/h1-3,5-7,10-11H,4,8-9,12-16H2,(H2,21,24);1H
InChIKeyGGVAOVSNQXIQEV-UHFFFAOYSA-N
MW478.38 g/mol
LogP2.65
Rot. Bonds4

About N'-[(1-phenylcyclobutyl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide

N'-[(1-phenylcyclobutyl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide (PubChem CID 119117895) has the molecular formula C20H27IN6 and a molecular weight of 478.38 g/mol. Its IUPAC name is N'-[(1-phenylcyclobutyl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[(1-phenylcyclobutyl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide
PubChem CID119117895
Molecular FormulaC20H27IN6
Molecular Weight478.38 g/mol
Exact Mass478.13
IUPAC NameN'-[(1-phenylcyclobutyl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide
SMILESI.N/C(=N\CC1(c2ccccc2)CCC1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C20H26N6.HI/c21-18(24-16-20(8-4-9-20)17-6-2-1-3-7-17)25-12-14-26(15-13-25)19-22-10-5-11-23-19;/h1-3,5-7,10-11H,4,8-9,12-16H2,(H2,21,24);1H
InChIKeyGGVAOVSNQXIQEV-UHFFFAOYSA-N
XLogP2.65
TPSA70.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.38
LogP ≤ 52.65
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N'-[(1-phenylcyclobutyl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 111038642
N'-[[1-(2-methoxyphenyl)cyclopropyl]methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide
CID 119121203
N'-[(1-pyridin-2-ylcyclobutyl)methyl]azetidine-1-carboximidamide
CID 122096089
N-ethyl-N'-[(1-phenylcyclopropyl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide
CID 111208120
N'-[(1-phenylcyclopropyl)methyl]thiomorpholine-4-carboximidamide
CID 111038851
N'-[(1-methylsulfanylcyclopropyl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 120605910
N'-[[1-(difluoromethyl)cyclopropyl]methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 120662409
N'-[(1-phenylcyclopropyl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 111038801
N'-[[1-(4-fluorophenyl)cyclobutyl]methyl]piperidine-1-carboximidamide;hydroiodide
CID 111091599
N'-phenyl-4-pyrimidin-2-ylpiperazine-1-carboximidamide
CID 62362264
N'-[(1-morpholin-4-ylcyclohexyl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 119117256
4-(4-chlorophenyl)-N'-[(4-phenyloxan-4-yl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 111068031

Frequently Asked Questions

What is the IUPAC name of N'-[(1-phenylcyclobutyl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide?
The IUPAC name of N'-[(1-phenylcyclobutyl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide (CID 119117895) is N'-[(1-phenylcyclobutyl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[(1-phenylcyclobutyl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide?
The canonical SMILES for N'-[(1-phenylcyclobutyl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide is I.N/C(=N\CC1(c2ccccc2)CCC1)N1CCN(c2ncccn2)CC1.
What is the InChIKey of N'-[(1-phenylcyclobutyl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide?
The InChIKey is GGVAOVSNQXIQEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6.HI/c21-18(24-16-20(8-4-9-20)17-6-2-1-3-7-17)25-12-14-26(15-13-25)19-22-10-5-11-23-19;/h1-3,5-7,10-11H,4,8-9,12-16H2,(H2,21,24);1H.
What are the key properties of N'-[(1-phenylcyclobutyl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide?
N'-[(1-phenylcyclobutyl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide has a molecular weight of 478.38 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(1-phenylcyclobutyl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 119117895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).