Molecule

ID:31186

General Information
Structure
MolImage
Molecular Formula
C₆H₇Cl₂N₃
Molecular Mass
192.04588
Exact Mass
191.0017026
Charge
0
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
Canonic Smiles
CCNc1nc(Cl)cc(n1)Cl
Isomeric Smiles
n1c(nc(cc1Cl)Cl)NCC
Calculated Properties
JChem
Acid pKa
15.250729
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.206546
LogD (pH = 7.4)
2.2065513
Log P
2.2065513
Molar Refractivity
49.3429
Polarizability
17.342293
Polar Surface Area
37.81
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
Navigation
CAS 10371-48-9|4,6-dichloro-N-ethylpyrimidin-2-amine|4,6-dichloro-N-ethylpyrimidin-2-amine|(4,6-Dichloro-pyrimidin-2-yl)-ethyl-amine|4,6-Dichloro-N-ethylpyriMidin-2-aMine | Molfinder