2-(3,5-dimethyl-1H-pyrazol-1-yl)-N-(4-methoxyphenyl)-6-methylpyrimidin-4-amine|2-(3,5-dimethyl-1H-pyrazol-1-yl)-N-(4-methoxyphenyl)-6-methylpyrimidin-4-amine|2-(3,5-dimethylpyrazol-1-yl)-N-(4-methox...

General Information

Structure

Molecular Formula

C₁₇H₁₉N₅O

Molecular Mass

309.36566

Exact Mass

309.15896025

Charge

InChI

InChI=1S/C17H19N5O/c1-11-10-16(19-14-5-7-15(23-4)8-6-14)20-17(18-11)22-13(3)9-12(2)21-22/h5-10H,1-4H3,(H,18,19,20)

InChIKey

QDEGMPXTGWEAPT-UHFFFAOYSA-N

Canonic Smiles

COc1ccc(cc1)Nc1cc(C)nc(n1)n1nc(cc1C)C

Isomeric Smiles

c1(n2nc(cc2C)C)nc(cc(n1)C)Nc1ccc(cc1)OC

Calculated Properties

JChem

Acid pKa

16.823273

H Acceptors

H Donor

LogD (pH = 5.5)

3.1523921

LogD (pH = 7.4)

3.1533415

Log P

3.1533537

Molar Refractivity

90.6256

Polarizability

33.48819

Polar Surface Area

64.86

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

Synonyms

2-(3,5-dimethyl-1H-pyrazol-1-yl)-N-(4-methoxyphenyl)-6-methylpyrimidin-4-amine

IUPAC name

2-(3,5-dimethyl-1H-pyrazol-1-yl)-N-(4-methoxyphenyl)-6-methylpyrimidin-4-amine

IUPAC Traditional name

2-(3,5-dimethylpyrazol-1-yl)-N-(4-methoxyphenyl)-6-methylpyrimidin-4-amine

Names and Identifiers

Registration numbers

PubChem CID

662572

PubChem SID

162214945

Registration numbers

Properties

No Data Available

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Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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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:120592