N'-[2-(1H-indol-5-yl)ethyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide

C19H24IN7 — CID 120728042

IUPACN'-[2-(1H-indol-5-yl)ethyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide
SMILESI.N/C(=N\CCc1ccc2[nH]ccc2c1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C19H23N7.HI/c20-18(22-8-4-15-2-3-17-16(14-15)5-9-21-17)25-10-12-26(13-11-25)19-23-6-1-7-24-19;/h1-3,5-7,9,14,21H,4,8,10-13H2,(H2,20,22);1H
InChIKeyLUQYRFZQFIEKHB-UHFFFAOYSA-N
MW477.35 g/mol
LogP2.26
Rot. Bonds4

About N'-[2-(1H-indol-5-yl)ethyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide

N'-[2-(1H-indol-5-yl)ethyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide (PubChem CID 120728042) has the molecular formula C19H24IN7 and a molecular weight of 477.35 g/mol. Its IUPAC name is N'-[2-(1H-indol-5-yl)ethyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[2-(1H-indol-5-yl)ethyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide
PubChem CID120728042
Molecular FormulaC19H24IN7
Molecular Weight477.35 g/mol
Exact Mass477.11
IUPAC NameN'-[2-(1H-indol-5-yl)ethyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide
SMILESI.N/C(=N\CCc1ccc2[nH]ccc2c1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C19H23N7.HI/c20-18(22-8-4-15-2-3-17-16(14-15)5-9-21-17)25-10-12-26(13-11-25)19-23-6-1-7-24-19;/h1-3,5-7,9,14,21H,4,8,10-13H2,(H2,20,22);1H
InChIKeyLUQYRFZQFIEKHB-UHFFFAOYSA-N
XLogP2.26
TPSA86.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.35
LogP ≤ 52.26
H-Bond Donors ≤ 52
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'-[2-(1H-indol-4-yl)ethyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 120762704
2-(1H-indol-5-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 84577578
N'-[2-(1H-indol-2-yl)ethyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide
CID 119934702
N'-[2-(3,5-difluorophenyl)ethyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide
CID 119121003
N'-[2-(2,4-dichlorophenyl)ethyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide
CID 119117163
N'-[2-[cyclopropyl(methyl)amino]ethyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 119120397
N'-[2-(1,3-dioxoisoindol-2-yl)ethyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 119119813
N'-[[1-(difluoromethyl)cyclopropyl]methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 120662409
N'-[2-(4-fluorophenyl)sulfonylethyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 119164664
4-pyrimidin-2-yl-N'-(quinolin-8-ylmethyl)piperazine-1-carboximidamide
CID 119120834
4-pyrimidin-2-yl-N'-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperazine-1-carboximidamide
CID 119119334
N'-(pyridin-2-ylmethyl)-4-pyrimidin-2-ylpiperazine-1-carboximidamide
CID 119117111

Frequently Asked Questions

What is the IUPAC name of N'-[2-(1H-indol-5-yl)ethyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide?
The IUPAC name of N'-[2-(1H-indol-5-yl)ethyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide (CID 120728042) is N'-[2-(1H-indol-5-yl)ethyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[2-(1H-indol-5-yl)ethyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide?
The canonical SMILES for N'-[2-(1H-indol-5-yl)ethyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide is I.N/C(=N\CCc1ccc2[nH]ccc2c1)N1CCN(c2ncccn2)CC1.
What is the InChIKey of N'-[2-(1H-indol-5-yl)ethyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide?
The InChIKey is LUQYRFZQFIEKHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N7.HI/c20-18(22-8-4-15-2-3-17-16(14-15)5-9-21-17)25-10-12-26(13-11-25)19-23-6-1-7-24-19;/h1-3,5-7,9,14,21H,4,8,10-13H2,(H2,20,22);1H.
What are the key properties of N'-[2-(1H-indol-5-yl)ethyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide?
N'-[2-(1H-indol-5-yl)ethyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide has a molecular weight of 477.35 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(1H-indol-5-yl)ethyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 120728042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).