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883540-07-6 molecular structure
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2-ethyl-4-methyl-6-(piperazin-1-yl)pyrimidine

ChemBase ID: 17850
Molecular Formular: C11H18N4
Molecular Mass: 206.28742
Monoisotopic Mass: 206.1531466
SMILES and InChIs

SMILES:
c1(N2CCNCC2)nc(nc(c1)C)CC
Canonical SMILES:
CCc1nc(cc(n1)C)N1CCNCC1
InChI:
InChI=1S/C11H18N4/c1-3-10-13-9(2)8-11(14-10)15-6-4-12-5-7-15/h8,12H,3-7H2,1-2H3
InChIKey:
JWSBILVBQJUNHF-UHFFFAOYSA-N

Cite this record

CBID:17850 http://www.chembase.cn/molecule-17850.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-ethyl-4-methyl-6-(piperazin-1-yl)pyrimidine
IUPAC Traditional name
2-ethyl-4-methyl-6-(piperazin-1-yl)pyrimidine
Synonyms
2-Ethyl-4-methyl-6-piperazin-1-yl-pyrimidine
CAS Number
883540-07-6
MDL Number
MFCD07400492
PubChem SID
160981157
PubChem CID
6496860

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Matrix Scientific
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Data Source Data ID
PubChem 6496860 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -2.62739  LogD (pH = 7.4) 0.17353442 
Log P 1.6525859  Molar Refractivity 62.0626 cm3
Polarizability 23.205322 Å3 Polar Surface Area 41.05 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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