4-pyrimidin-2-yl-N'-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperazine-1-carboximidamide

C17H26N8 — CID 119119334

IUPAC4-pyrimidin-2-yl-N'-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperazine-1-carboximidamide
SMILESCc1nn(C)c(C)c1CC/N=C(\N)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C17H26N8/c1-13-15(14(2)23(3)22-13)5-8-19-16(18)24-9-11-25(12-10-24)17-20-6-4-7-21-17/h4,6-7H,5,8-12H2,1-3H3,(H2,18,19)
InChIKeyHVXMLOSLUDKKML-UHFFFAOYSA-N
MW342.45 g/mol
LogP0.51
Rot. Bonds4

About 4-pyrimidin-2-yl-N'-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperazine-1-carboximidamide

4-pyrimidin-2-yl-N'-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperazine-1-carboximidamide (PubChem CID 119119334) has the molecular formula C17H26N8 and a molecular weight of 342.45 g/mol. Its IUPAC name is 4-pyrimidin-2-yl-N'-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperazine-1-carboximidamide.

Molecular Properties

Compound Name4-pyrimidin-2-yl-N'-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperazine-1-carboximidamide
PubChem CID119119334
Molecular FormulaC17H26N8
Molecular Weight342.45 g/mol
Exact Mass342.23
IUPAC Name4-pyrimidin-2-yl-N'-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperazine-1-carboximidamide
SMILESCc1nn(C)c(C)c1CC/N=C(\N)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C17H26N8/c1-13-15(14(2)23(3)22-13)5-8-19-16(18)24-9-11-25(12-10-24)17-20-6-4-7-21-17/h4,6-7H,5,8-12H2,1-3H3,(H2,18,19)
InChIKeyHVXMLOSLUDKKML-UHFFFAOYSA-N
XLogP0.51
TPSA88.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.45
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

1-(4-pyrimidin-2-ylpiperazin-1-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
CID 36873080
N'-[2-(3,5-difluorophenyl)ethyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide
CID 119121003
N'-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide
CID 119120527
N'-[2-(2,4-dichlorophenyl)ethyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide
CID 119117163
N'-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]thiomorpholine-4-carboximidamide
CID 111062149
[1,3-dimethyl-5-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazol-4-yl]methanol
CID 28963502
N'-[2-(1,3-dioxoisoindol-2-yl)ethyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 119119813
N'-[2-(1,4-oxazepan-4-yl)ethyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide
CID 122082011
N'-[2-(4-hydroxyoxan-4-yl)ethyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide
CID 120973143
N'-[2-[cyclopropyl(methyl)amino]ethyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 119120397
N'-(2-phenylsulfanylethyl)-4-pyrimidin-2-ylpiperazine-1-carboximidamide
CID 119117550
N'-[2-(1H-indol-2-yl)ethyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide
CID 119934702

Frequently Asked Questions

What is the IUPAC name of 4-pyrimidin-2-yl-N'-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperazine-1-carboximidamide?
The IUPAC name of 4-pyrimidin-2-yl-N'-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperazine-1-carboximidamide (CID 119119334) is 4-pyrimidin-2-yl-N'-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperazine-1-carboximidamide.
What is the SMILES notation for 4-pyrimidin-2-yl-N'-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperazine-1-carboximidamide?
The canonical SMILES for 4-pyrimidin-2-yl-N'-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperazine-1-carboximidamide is Cc1nn(C)c(C)c1CC/N=C(\N)N1CCN(c2ncccn2)CC1.
What is the InChIKey of 4-pyrimidin-2-yl-N'-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperazine-1-carboximidamide?
The InChIKey is HVXMLOSLUDKKML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N8/c1-13-15(14(2)23(3)22-13)5-8-19-16(18)24-9-11-25(12-10-24)17-20-6-4-7-21-17/h4,6-7H,5,8-12H2,1-3H3,(H2,18,19).
What are the key properties of 4-pyrimidin-2-yl-N'-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperazine-1-carboximidamide?
4-pyrimidin-2-yl-N'-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperazine-1-carboximidamide has a molecular weight of 342.45 g/mol, XLogP of 0.51, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrimidin-2-yl-N'-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperazine-1-carboximidamide is sourced from PubChem (CID 119119334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).