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1060816-67-2 molecular structure
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2-chloro-7-methyl-7H-pyrrolo[2,3-d]pyrimidine

ChemBase ID: 289339
Molecular Formular: C7H6ClN3
Molecular Mass: 167.59564
Monoisotopic Mass: 167.02502489
SMILES and InChIs

SMILES:
Cn1ccc2cnc(Cl)nc12
Canonical SMILES:
Clc1ncc2c(n1)n(C)cc2
InChI:
InChI=1S/C7H6ClN3/c1-11-3-2-5-4-9-7(8)10-6(5)11/h2-4H,1H3
InChIKey:
WOIRQILACBXPIQ-UHFFFAOYSA-N

Cite this record

CBID:289339 http://www.chembase.cn/molecule-289339.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-chloro-7-methyl-7H-pyrrolo[2,3-d]pyrimidine
IUPAC Traditional name
2-chloro-7-methylpyrrolo[2,3-d]pyrimidine
Synonyms
2-Chloro-7-methyl-7H-pyrrolo[2,3-d]pyrimidine
CAS Number
1060816-67-2
MDL Number
MFCD13189420
PubChem SID
180674870
PubChem CID
57415888

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD219234 Please log in.
Data Source Data ID
PubChem 57415888 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Molar Refractivity 44.1567 cm3 Polarizability 16.850883 Å3
Polar Surface Area 30.71 Å2 Rotatable Bonds
Lipinski's Rule of Five true  H Acceptors
H Donor LogD (pH = 5.5) 1.6153966 
LogD (pH = 7.4) 1.6477562  Log P 1.648186 

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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