1-(2-hydroxyethyl)-4,6-dimethyl-1,2-dihydropyrimidin-2-one hydrochloride|1-(2-hydroxyethyl)-4,6-dimethylpyrimidin-2-one hydrochloride|1-(2-hydroxyethyl)-4,6-dimethylpyrimidin-2(1H)-one hydrochloride

General Information

Structure

Molecular Formula

C₈H₁₃ClN₂O₂

Molecular Mass

204.65402

Exact Mass

204.06655535

Charge

InChI

InChI=1S/C8H12N2O2.ClH/c1-6-5-7(2)10(3-4-11)8(12)9-6;/h5,11H,3-4H2,1-2H3;1H

InChIKey

GGKYJCIZGRQFNI-UHFFFAOYSA-N

Canonic Smiles

Cc1cc(C)nc(=O)n1CCO.Cl

Isomeric Smiles

c1(=O)n(c(cc(n1)C)C)CCO.Cl

Calculated Properties

JChem

Acid pKa

15.556924

H Acceptors

H Donor

LogD (pH = 5.5)

-0.65468574

LogD (pH = 7.4)

-0.6546846

Log P

-0.6546846

Molar Refractivity

46.5634

Polarizability

17.080748

Polar Surface Area

52.9

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

IUPAC name

1-(2-hydroxyethyl)-4,6-dimethyl-1,2-dihydropyrimidin-2-one hydrochloride

Synonyms

1-(2-hydroxyethyl)-4,6-dimethylpyrimidin-2(1H)-one hydrochloride

IUPAC Traditional name

1-(2-hydroxyethyl)-4,6-dimethylpyrimidin-2-one hydrochloride

Names and Identifiers

Registration numbers

PubChem CID

6603213

PubChem SID

162215796

Registration numbers

Properties

Product Information

Salt Data

HCl

Properties

Related Proteins

No Data Available

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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:121443