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2382-10-7 molecular structure
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2,6-dichloro-9-methyl-9H-purine

ChemBase ID: 287854
Molecular Formular: C6H4Cl2N4
Molecular Mass: 203.02876
Monoisotopic Mass: 201.98130151
SMILES and InChIs

SMILES:
Cn1cnc2c(Cl)nc(Cl)nc12
Canonical SMILES:
Clc1nc(Cl)c2c(n1)n(C)cn2
InChI:
InChI=1S/C6H4Cl2N4/c1-12-2-9-3-4(7)10-6(8)11-5(3)12/h2H,1H3
InChIKey:
HWMJNDVUIMQFEW-UHFFFAOYSA-N

Cite this record

CBID:287854 http://www.chembase.cn/molecule-287854.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,6-dichloro-9-methyl-9H-purine
IUPAC Traditional name
2,6-dichloro-9-methylpurine
Synonyms
2,6-Dichloro-9-methyl-9H-purine
CAS Number
2382-10-7
PubChem SID
180673385
PubChem CID
1712553

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD162223 Please log in.
Data Source Data ID
PubChem 1712553 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.6599032  LogD (pH = 7.4) 1.659904 
Log P 1.659904  Molar Refractivity 47.8468 cm3
Polarizability 18.038837 Å3 Polar Surface Area 43.6 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
95+% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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