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141602-25-7 molecular structure
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4-chloro-6-ethylpyrimidine

ChemBase ID: 114321
Molecular Formular: C6H7ClN2
Molecular Mass: 142.58618
Monoisotopic Mass: 142.02977591
SMILES and InChIs

SMILES:
n1c(cc(nc1)CC)Cl
Canonical SMILES:
CCc1cc(Cl)ncn1
InChI:
InChI=1S/C6H7ClN2/c1-2-5-3-6(7)9-4-8-5/h3-4H,2H2,1H3
InChIKey:
MFZPGDQOHZBCRW-UHFFFAOYSA-N

Cite this record

CBID:114321 http://www.chembase.cn/molecule-114321.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-chloro-6-ethylpyrimidine
IUPAC Traditional name
4-chloro-6-ethylpyrimidine
Synonyms
4-chloro-6-ethylpyrimidine
CAS Number
141602-25-7
MDL Number
MFCD09746254
PubChem SID
162099152
PubChem CID
11137271

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 11137271 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.7057385  LogD (pH = 7.4) 1.7058618 
Log P 1.7058634  Molar Refractivity 37.8068 cm3
Polarizability 14.096961 Å3 Polar Surface Area 25.78 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Partition Coefficient
1.298 expand Show data source
Hydrophobicity(logP)
1.467 expand Show data source
Purity
95% expand Show data source
95+% expand Show data source
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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