N-(4,6-Dimethylpyrimidin-2-yl)-4-(4-methoxyphenyl) piperazine-1-carboximidamide|N-(4,6-dimethylpyrimidin-2-yl)-4-(4-methoxyphenyl)piperazine-1-carboximidamide|N-(4,6-dimethylpyrimidin-2-yl)-4-(4-met...

General Information

Structure

Molecular Formula

C₁₈H₂₄N₆O

Molecular Mass

340.42276

Exact Mass

340.20115942

Charge

InChI

InChI=1S/C18H24N6O/c1-13-12-14(2)21-18(20-13)22-17(19)24-10-8-23(9-11-24)15-4-6-16(25-3)7-5-15/h4-7,12H,8-11H2,1-3H3,(H2,19,20,21,22)

InChIKey

IVICWFHCELNJGY-UHFFFAOYSA-N

Canonic Smiles

COc1ccc(cc1)N1CCN(CC1)C(=N)Nc1nc(C)cc(n1)C

Isomeric Smiles

c1c(nc(nc1C)NC(=N)N1CCN(CC1)c1ccc(cc1)OC)C

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

-0.014691147

LogD (pH = 7.4)

1.4848748

Log P

2.085409

Molar Refractivity

111.0662

Polarizability

36.799892

Polar Surface Area

77.37

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

IUPAC name

N-(4,6-dimethylpyrimidin-2-yl)-4-(4-methoxyphenyl)piperazine-1-carboximidamide

IUPAC Traditional name

N-(4,6-dimethylpyrimidin-2-yl)-4-(4-methoxyphenyl)piperazine-1-carboximidamide

Synonyms

N-(4,6-Dimethylpyrimidin-2-yl)-4-(4-methoxyphenyl) piperazine-1-carboximidamide

Names and Identifiers

Registration numbers

MDL Number

MFCD03903919

PubChem SID

162026973

PubChem CID

5739198

Registration numbers

Properties

Safety Information

TSCA Listed

false

MSDS Link

Download link

Storage Warning

IRRITANT

Properties

Related Proteins

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Molecular Spectra

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Molecule Details

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References

PubChem Literature

No Data Available

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References

Bioactivity

PubChem BioAssay

Bioactivity

Molecule

ID:61232