4,6-dichloro-2-ethyl-5-fluoropyrimidine

C6H5Cl2FN2 — CID 55264154

IUPAC4,6-dichloro-2-ethyl-5-fluoropyrimidine
SMILESCCc1nc(Cl)c(F)c(Cl)n1
InChIInChI=1S/C6H5Cl2FN2/c1-2-3-10-5(7)4(9)6(8)11-3/h2H2,1H3
InChIKeyPCWBZTOPEQGYAZ-UHFFFAOYSA-N
MW195.02 g/mol
LogP2.48
Rot. Bonds1

About 4,6-dichloro-2-ethyl-5-fluoropyrimidine

4,6-dichloro-2-ethyl-5-fluoropyrimidine (PubChem CID 55264154) has the molecular formula C6H5Cl2FN2 and a molecular weight of 195.02 g/mol. Its IUPAC name is 4,6-dichloro-2-ethyl-5-fluoropyrimidine.

Molecular Properties

Compound Name4,6-dichloro-2-ethyl-5-fluoropyrimidine
PubChem CID55264154
Molecular FormulaC6H5Cl2FN2
Molecular Weight195.02 g/mol
Exact Mass193.98
IUPAC Name4,6-dichloro-2-ethyl-5-fluoropyrimidine
SMILESCCc1nc(Cl)c(F)c(Cl)n1
InChIInChI=1S/C6H5Cl2FN2/c1-2-3-10-5(7)4(9)6(8)11-3/h2H2,1H3
InChIKeyPCWBZTOPEQGYAZ-UHFFFAOYSA-N
XLogP2.48
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.02
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-2-ethyl-5-fluoropyrimidine?
The IUPAC name of 4,6-dichloro-2-ethyl-5-fluoropyrimidine (CID 55264154) is 4,6-dichloro-2-ethyl-5-fluoropyrimidine.
What is the SMILES notation for 4,6-dichloro-2-ethyl-5-fluoropyrimidine?
The canonical SMILES for 4,6-dichloro-2-ethyl-5-fluoropyrimidine is CCc1nc(Cl)c(F)c(Cl)n1.
What is the InChIKey of 4,6-dichloro-2-ethyl-5-fluoropyrimidine?
The InChIKey is PCWBZTOPEQGYAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5Cl2FN2/c1-2-3-10-5(7)4(9)6(8)11-3/h2H2,1H3.
What are the key properties of 4,6-dichloro-2-ethyl-5-fluoropyrimidine?
4,6-dichloro-2-ethyl-5-fluoropyrimidine has a molecular weight of 195.02 g/mol, XLogP of 2.48, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-2-ethyl-5-fluoropyrimidine is sourced from PubChem (CID 55264154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).