5-bromo-2,4-dichloro-6-ethylpyrimidine

C6H5BrCl2N2 — CID 71464038

IUPAC5-bromo-2,4-dichloro-6-ethylpyrimidine
SMILESCCc1nc(Cl)nc(Cl)c1Br
InChIInChI=1S/C6H5BrCl2N2/c1-2-3-4(7)5(8)11-6(9)10-3/h2H2,1H3
InChIKeyDUALAZCQAHOUGG-UHFFFAOYSA-N
MW255.93 g/mol
LogP3.11
Rot. Bonds1

About 5-bromo-2,4-dichloro-6-ethylpyrimidine

5-bromo-2,4-dichloro-6-ethylpyrimidine (PubChem CID 71464038) has the molecular formula C6H5BrCl2N2 and a molecular weight of 255.93 g/mol. Its IUPAC name is 5-bromo-2,4-dichloro-6-ethylpyrimidine.

Molecular Properties

Compound Name5-bromo-2,4-dichloro-6-ethylpyrimidine
PubChem CID71464038
Molecular FormulaC6H5BrCl2N2
Molecular Weight255.93 g/mol
Exact Mass253.90
IUPAC Name5-bromo-2,4-dichloro-6-ethylpyrimidine
SMILESCCc1nc(Cl)nc(Cl)c1Br
InChIInChI=1S/C6H5BrCl2N2/c1-2-3-4(7)5(8)11-6(9)10-3/h2H2,1H3
InChIKeyDUALAZCQAHOUGG-UHFFFAOYSA-N
XLogP3.11
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.93
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2,4-dichloro-6-ethylpyrimidine?
The IUPAC name of 5-bromo-2,4-dichloro-6-ethylpyrimidine (CID 71464038) is 5-bromo-2,4-dichloro-6-ethylpyrimidine.
What is the SMILES notation for 5-bromo-2,4-dichloro-6-ethylpyrimidine?
The canonical SMILES for 5-bromo-2,4-dichloro-6-ethylpyrimidine is CCc1nc(Cl)nc(Cl)c1Br.
What is the InChIKey of 5-bromo-2,4-dichloro-6-ethylpyrimidine?
The InChIKey is DUALAZCQAHOUGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BrCl2N2/c1-2-3-4(7)5(8)11-6(9)10-3/h2H2,1H3.
What are the key properties of 5-bromo-2,4-dichloro-6-ethylpyrimidine?
5-bromo-2,4-dichloro-6-ethylpyrimidine has a molecular weight of 255.93 g/mol, XLogP of 3.11, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2,4-dichloro-6-ethylpyrimidine is sourced from PubChem (CID 71464038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).