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

C19H23N7 — CID 119934702

IUPACN'-[2-(1H-indol-2-yl)ethyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide
SMILESN/C(=N\CCc1cc2ccccc2[nH]1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C19H23N7/c20-18(21-9-6-16-14-15-4-1-2-5-17(15)24-16)25-10-12-26(13-11-25)19-22-7-3-8-23-19/h1-5,7-8,14,24H,6,9-13H2,(H2,20,21)
InChIKeyYFMKVXVGFDKOGX-UHFFFAOYSA-N
MW349.44 g/mol
LogP1.64
Rot. Bonds4

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

N'-[2-(1H-indol-2-yl)ethyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide (PubChem CID 119934702) has the molecular formula C19H23N7 and a molecular weight of 349.44 g/mol. Its IUPAC name is N'-[2-(1H-indol-2-yl)ethyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide.

Molecular Properties

Compound NameN'-[2-(1H-indol-2-yl)ethyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide
PubChem CID119934702
Molecular FormulaC19H23N7
Molecular Weight349.44 g/mol
Exact Mass349.20
IUPAC NameN'-[2-(1H-indol-2-yl)ethyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide
SMILESN/C(=N\CCc1cc2ccccc2[nH]1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C19H23N7/c20-18(21-9-6-16-14-15-4-1-2-5-17(15)24-16)25-10-12-26(13-11-25)19-22-7-3-8-23-19/h1-5,7-8,14,24H,6,9-13H2,(H2,20,21)
InChIKeyYFMKVXVGFDKOGX-UHFFFAOYSA-N
XLogP1.64
TPSA86.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 51.64
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'}

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Related Compounds

N'-[2-(1H-indol-5-yl)ethyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 120728042
N'-[2-(3,5-difluorophenyl)ethyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide
CID 119121003
N'-[2-(1H-indol-4-yl)ethyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 120762704
N'-[2-(2,4-dichlorophenyl)ethyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide
CID 119117163
N'-(2-phenylsulfanylethyl)-4-pyrimidin-2-ylpiperazine-1-carboximidamide
CID 119117550
N'-[2-(1,3-dioxoisoindol-2-yl)ethyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 119119813
N'-(pyridin-2-ylmethyl)-4-pyrimidin-2-ylpiperazine-1-carboximidamide
CID 119117111
N'-[2-[cyclopropyl(methyl)amino]ethyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 119120397
N'-[(2-bromophenyl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 119118180
N'-phenyl-4-pyrimidin-2-ylpiperazine-1-carboximidamide
CID 62362264
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

Frequently Asked Questions

What is the IUPAC name of N'-[2-(1H-indol-2-yl)ethyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide?
The IUPAC name of N'-[2-(1H-indol-2-yl)ethyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide (CID 119934702) is N'-[2-(1H-indol-2-yl)ethyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide.
What is the SMILES notation for N'-[2-(1H-indol-2-yl)ethyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide?
The canonical SMILES for N'-[2-(1H-indol-2-yl)ethyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide is N/C(=N\CCc1cc2ccccc2[nH]1)N1CCN(c2ncccn2)CC1.
What is the InChIKey of N'-[2-(1H-indol-2-yl)ethyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide?
The InChIKey is YFMKVXVGFDKOGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N7/c20-18(21-9-6-16-14-15-4-1-2-5-17(15)24-16)25-10-12-26(13-11-25)19-22-7-3-8-23-19/h1-5,7-8,14,24H,6,9-13H2,(H2,20,21).
What are the key properties of N'-[2-(1H-indol-2-yl)ethyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide?
N'-[2-(1H-indol-2-yl)ethyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide has a molecular weight of 349.44 g/mol, XLogP of 1.64, 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-2-yl)ethyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide is sourced from PubChem (CID 119934702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).