N'-methyl-4-pyrimidin-2-yl-N-(2-quinolin-8-ylethyl)piperazine-1-carboximidamide

C21H25N7 — CID 111207422

IUPACN'-methyl-4-pyrimidin-2-yl-N-(2-quinolin-8-ylethyl)piperazine-1-carboximidamide
SMILESC/N=C(/NCCc1cccc2cccnc12)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C21H25N7/c1-22-20(27-13-15-28(16-14-27)21-24-10-4-11-25-21)26-12-8-18-6-2-5-17-7-3-9-23-19(17)18/h2-7,9-11H,8,12-16H2,1H3,(H,22,26)
InChIKeyBYXCMQVOTGYJPF-UHFFFAOYSA-N
MW375.48 g/mol
LogP1.96
Rot. Bonds4

About N'-methyl-4-pyrimidin-2-yl-N-(2-quinolin-8-ylethyl)piperazine-1-carboximidamide

N'-methyl-4-pyrimidin-2-yl-N-(2-quinolin-8-ylethyl)piperazine-1-carboximidamide (PubChem CID 111207422) has the molecular formula C21H25N7 and a molecular weight of 375.48 g/mol. Its IUPAC name is N'-methyl-4-pyrimidin-2-yl-N-(2-quinolin-8-ylethyl)piperazine-1-carboximidamide.

Molecular Properties

Compound NameN'-methyl-4-pyrimidin-2-yl-N-(2-quinolin-8-ylethyl)piperazine-1-carboximidamide
PubChem CID111207422
Molecular FormulaC21H25N7
Molecular Weight375.48 g/mol
Exact Mass375.22
IUPAC NameN'-methyl-4-pyrimidin-2-yl-N-(2-quinolin-8-ylethyl)piperazine-1-carboximidamide
SMILESC/N=C(/NCCc1cccc2cccnc12)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C21H25N7/c1-22-20(27-13-15-28(16-14-27)21-24-10-4-11-25-21)26-12-8-18-6-2-5-17-7-3-9-23-19(17)18/h2-7,9-11H,8,12-16H2,1H3,(H,22,26)
InChIKeyBYXCMQVOTGYJPF-UHFFFAOYSA-N
XLogP1.96
TPSA69.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 51.96
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'}

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Related Compounds

4-(2-hydroxyphenyl)-N'-methyl-N-(2-quinolin-8-ylethyl)piperazine-1-carboximidamide;hydroiodide
CID 111186227
N-ethyl-4-pyrimidin-2-yl-N'-(2-quinolin-8-ylethyl)piperazine-1-carboximidamide
CID 111206292
N-[2-(4-methoxyphenyl)ethyl]-N'-methyl-4-pyrimidin-2-ylpiperazine-1-carboximidamide
CID 111205630
N'-methyl-4-(1-methylpyrazol-4-yl)-3-oxo-N-(2-quinolin-8-ylethyl)piperazine-1-carboximidamide
CID 109434935
4-[(2,5-dimethoxyphenyl)methyl]-N'-methyl-N-(2-quinolin-8-ylethyl)piperazine-1-carboximidamide;hydroiodide
CID 111303456
N'-methyl-N-(2-naphthalen-1-yloxyethyl)-4-pyrimidin-2-ylpiperazine-1-carboximidamide
CID 111207070
2-methyl-1-(2-quinolin-8-ylethyl)guanidine
CID 78989907
N-[2-(1H-indol-3-yl)ethyl]-N'-methyl-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 111205635
N-[2-(furan-2-yl)ethyl]-N'-methyl-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 111205223
N'-methyl-N-(2-naphthalen-1-yloxyethyl)-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 111207069
N-[2-[4-(dimethylamino)phenyl]ethyl]-N'-methyl-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 111207923
1-amino-2-methyl-3-(2-quinolin-8-ylethyl)guanidine
CID 116510983

Frequently Asked Questions

What is the IUPAC name of N'-methyl-4-pyrimidin-2-yl-N-(2-quinolin-8-ylethyl)piperazine-1-carboximidamide?
The IUPAC name of N'-methyl-4-pyrimidin-2-yl-N-(2-quinolin-8-ylethyl)piperazine-1-carboximidamide (CID 111207422) is N'-methyl-4-pyrimidin-2-yl-N-(2-quinolin-8-ylethyl)piperazine-1-carboximidamide.
What is the SMILES notation for N'-methyl-4-pyrimidin-2-yl-N-(2-quinolin-8-ylethyl)piperazine-1-carboximidamide?
The canonical SMILES for N'-methyl-4-pyrimidin-2-yl-N-(2-quinolin-8-ylethyl)piperazine-1-carboximidamide is C/N=C(/NCCc1cccc2cccnc12)N1CCN(c2ncccn2)CC1.
What is the InChIKey of N'-methyl-4-pyrimidin-2-yl-N-(2-quinolin-8-ylethyl)piperazine-1-carboximidamide?
The InChIKey is BYXCMQVOTGYJPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N7/c1-22-20(27-13-15-28(16-14-27)21-24-10-4-11-25-21)26-12-8-18-6-2-5-17-7-3-9-23-19(17)18/h2-7,9-11H,8,12-16H2,1H3,(H,22,26).
What are the key properties of N'-methyl-4-pyrimidin-2-yl-N-(2-quinolin-8-ylethyl)piperazine-1-carboximidamide?
N'-methyl-4-pyrimidin-2-yl-N-(2-quinolin-8-ylethyl)piperazine-1-carboximidamide has a molecular weight of 375.48 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-4-pyrimidin-2-yl-N-(2-quinolin-8-ylethyl)piperazine-1-carboximidamide is sourced from PubChem (CID 111207422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).