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10371-48-9 molecular structure
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4,6-dichloro-N-ethylpyrimidin-2-amine

ChemBase ID: 31186
Molecular Formular: C6H7Cl2N3
Molecular Mass: 192.04588
Monoisotopic Mass: 191.0017026
SMILES and InChIs

SMILES:
n1c(nc(cc1Cl)Cl)NCC
Canonical SMILES:
CCNc1nc(Cl)cc(n1)Cl
InChI:
InChI=1S/C6H7Cl2N3/c1-2-9-6-10-4(7)3-5(8)11-6/h3H,2H2,1H3,(H,9,10,11)
InChIKey:
JDWUPHRMFWCUBA-UHFFFAOYSA-N

Cite this record

CBID:31186 http://www.chembase.cn/molecule-31186.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4,6-dichloro-N-ethylpyrimidin-2-amine
IUPAC Traditional name
4,6-dichloro-N-ethylpyrimidin-2-amine
Synonyms
(4,6-Dichloro-pyrimidin-2-yl)-ethyl-amine
4,6-Dichloro-N-ethylpyriMidin-2-aMine
CAS Number
10371-48-9
MDL Number
MFCD07396639
PubChem SID
160994493
PubChem CID
6493735

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 6493735 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 15.250729  H Acceptors
H Donor LogD (pH = 5.5) 2.206546 
LogD (pH = 7.4) 2.2065513  Log P 2.2065513 
Molar Refractivity 49.3429 cm3 Polarizability 17.342293 Å3
Polar Surface Area 37.81 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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