5,7-dichloro-1,3-dimethyl-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-2,4-dione|5,7-dichloro-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione|5,7-dichloro-1,3-dimethyl-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine...

General Information

Structure

Molecular Formula

C₉H₇Cl₂N₃O₂

Molecular Mass

260.07678

Exact Mass

258.99153184

Charge

InChI

InChI=1S/C9H7Cl2N3O2/c1-13-7-6(4(10)3-5(11)12-7)8(15)14(2)9(13)16/h3H,1-2H3

InChIKey

HWGWJQDKIPMHLU-UHFFFAOYSA-N

Canonic Smiles

Clc1cc(Cl)c2c(n1)n(C)c(=O)n(c2=O)C

Isomeric Smiles

n1(c(=O)n(c2c(c(cc(n2)Cl)Cl)c1=O)C)C

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

1.6397413

LogD (pH = 7.4)

1.6397413

Log P

1.6397413

Molar Refractivity

60.6162

Polarizability

22.329641

Polar Surface Area

53.51

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Academic Data

Commercial Catalog

Data Source

Names and Identifiers

IUPAC name

5,7-dichloro-1,3-dimethyl-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-2,4-dione

IUPAC Traditional name

5,7-dichloro-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione

Synonyms

5,7-dichloro-1,3-dimethyl-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-2,4-dione

Names and Identifiers

Registration numbers

MDL Number

MFCD00275682

PubChem SID

162067141

PubChem CID

2775721

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

暂无数据

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References

PubChem Literature

No Data Available

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References

Bioactivity

PubChem BioAssay

Bioactivity

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General Information

Calculated Properties

• RDKit

• JChem

Data Source

• Academic Data

• Commercial Catalog

Names and Identifiers

• IUPAC name

• IUPAC Traditional name

• Synonyms

Registration numbers

• MDL Number

• PubChem SID

• PubChem CID

• PubChem Literature

• From Data Sources

Bioactivity

• PubChem BioAssay

Molecule

ID:80021