CAS 14160-93-1|4-Amino-6-chloro-5-pyrimidinecarbaldehyde|4-amino-6-chloropyrimidine-5-carbaldehyde|4-amino-6-chloropyrimidine-5-carbaldehyde|4-Amino-6-chloro-5-formylpyrimidine|4-Amino-6-chloro-5-fo...

General Information

Structure

Molecular Formula

C₅H₄ClN₃O

Molecular Mass

157.55776

Exact Mass

157.00428944

Charge

InChI

InChI=1S/C5H4ClN3O/c6-4-3(1-10)5(7)9-2-8-4/h1-2H,(H2,7,8,9)

InChIKey

GOJNFUXEBVBARW-UHFFFAOYSA-N

Canonic Smiles

O=Cc1c(N)ncnc1Cl

Isomeric Smiles

c1(c(ncnc1Cl)N)C=O

Calculated Properties

JChem

Acid pKa

18.254446

H Acceptors

H Donor

LogD (pH = 5.5)

1.0016336

LogD (pH = 7.4)

1.0019867

Log P

1.0019913

Molar Refractivity

40.1863

Polarizability

13.655597

Polar Surface Area

68.87

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC name

4-amino-6-chloropyrimidine-5-carbaldehyde

Synonyms

4-Amino-6-chloro-5-pyrimidinecarbaldehyde4-Amino-6-chloro-5-formylpyrimidine4-Amino-6-chloro-5-formyl-1,3-diazine4-Amino-6-chloropyrimidine-5-carboxaldehyde4-Amino-6-chloropyrimidine-5-carboxaldehyde4-amino-6-chloropyrimidine-5-carbaldehyde

IUPAC Traditional name

4-amino-6-chloropyrimidine-5-carbaldehyde

Names and Identifiers

Registration numbers

CAS Number

MDL Number

PubChem CID

PubChem SID

EC Number

Registration numbers

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

Names and Identifiers

IUPAC name

4-amino-6-chloropyrimidine-5-carbaldehyde

Synonyms

IUPAC Traditional name

4-amino-6-chloropyrimidine-5-carbaldehyde

Registration numbers

CAS Number

MDL Number

PubChem CID

PubChem SID

EC Number

Properties

References

PubChem Literature

No Data Available

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Bioactivity

PubChem BioAssay

Molecule

ID:40669