2-methyl-3-(2-(methylamino)ethyl)-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-one|2-methyl-3-[2-(methylamino)ethyl]-4H,6H,7H,8H,9H-pyrido[1,2-a]pyrimidin-4-one|2-methyl-3-[2-(methylamino)ethyl]-6...

General Information

Structure

Molecular Formula

C₁₂H₁₉N₃O

Molecular Mass

221.29876

Exact Mass

221.15281224

Charge

InChI

InChI=1S/C12H19N3O/c1-9-10(6-7-13-2)12(16)15-8-4-3-5-11(15)14-9/h13H,3-8H2,1-2H3

InChIKey

RAYOJSQPABNWNS-UHFFFAOYSA-N

Canonic Smiles

CNCCc1c(C)nc2n(c1=O)CCCC2

Isomeric Smiles

c1(=O)n2c(nc(c1CCNC)C)CCCC2

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

-2.8968396

LogD (pH = 7.4)

-2.1292975

Log P

0.3173756

Molar Refractivity

64.8807

Polarizability

24.594286

Polar Surface Area

44.7

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Academic Data

Commercial Catalog

Data Source

Names and Identifiers

Synonyms

2-methyl-3-(2-(methylamino)ethyl)-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-one

IUPAC name

2-methyl-3-[2-(methylamino)ethyl]-4H,6H,7H,8H,9H-pyrido[1,2-a]pyrimidin-4-one

IUPAC Traditional name

2-methyl-3-[2-(methylamino)ethyl]-6H,7H,8H,9H-pyrido[1,2-a]pyrimidin-4-one

Names and Identifiers

Registration numbers

PubChem CID

39347502

PubChem SID

162217815

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:123462