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90213-67-5 molecular structure
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2,4-dichloro-7-methyl-7H-pyrrolo[2,3-d]pyrimidine

ChemBase ID: 289332
Molecular Formular: C7H5Cl2N3
Molecular Mass: 202.0407
Monoisotopic Mass: 200.98605254
SMILES and InChIs

SMILES:
Cn1ccc2c(Cl)nc(Cl)nc12
Canonical SMILES:
Clc1nc(Cl)c2c(n1)n(C)cc2
InChI:
InChI=1S/C7H5Cl2N3/c1-12-3-2-4-5(8)10-7(9)11-6(4)12/h2-3H,1H3
InChIKey:
WIROGLUDZOMAPT-UHFFFAOYSA-N

Cite this record

CBID:289332 http://www.chembase.cn/molecule-289332.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,4-dichloro-7-methyl-7H-pyrrolo[2,3-d]pyrimidine
IUPAC Traditional name
2,4-dichloro-7-methylpyrrolo[2,3-d]pyrimidine
Synonyms
2,4-Dichloro-7-methyl-7H-pyrrolo[2,3-d]pyrimidine
CAS Number
90213-67-5
PubChem SID
180674863
PubChem CID
25230953

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD219225 Please log in.
Data Source Data ID
PubChem 25230953 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.4724076  LogD (pH = 7.4) 2.4724078 
Log P 2.4724078  Molar Refractivity 50.0228 cm3
Polarizability 18.846977 Å3 Polar Surface Area 30.71 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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