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

C6H5Cl2FN2 — CID 118333710

IUPAC2,4-dichloro-5-ethyl-6-fluoropyrimidine
SMILESCCc1c(F)nc(Cl)nc1Cl
InChIInChI=1S/C6H5Cl2FN2/c1-2-3-4(7)10-6(8)11-5(3)9/h2H2,1H3
InChIKeyXBIWHPMHWMXXPX-UHFFFAOYSA-N
MW195.02 g/mol
LogP2.48
Rot. Bonds1

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

2,4-dichloro-5-ethyl-6-fluoropyrimidine (PubChem CID 118333710) has the molecular formula C6H5Cl2FN2 and a molecular weight of 195.02 g/mol. Its IUPAC name is 2,4-dichloro-5-ethyl-6-fluoropyrimidine.

Molecular Properties

Compound Name2,4-dichloro-5-ethyl-6-fluoropyrimidine
PubChem CID118333710
Molecular FormulaC6H5Cl2FN2
Molecular Weight195.02 g/mol
Exact Mass193.98
IUPAC Name2,4-dichloro-5-ethyl-6-fluoropyrimidine
SMILESCCc1c(F)nc(Cl)nc1Cl
InChIInChI=1S/C6H5Cl2FN2/c1-2-3-4(7)10-6(8)11-5(3)9/h2H2,1H3
InChIKeyXBIWHPMHWMXXPX-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 2,4-dichloro-5-ethyl-6-fluoropyrimidine?
The IUPAC name of 2,4-dichloro-5-ethyl-6-fluoropyrimidine (CID 118333710) is 2,4-dichloro-5-ethyl-6-fluoropyrimidine.
What is the SMILES notation for 2,4-dichloro-5-ethyl-6-fluoropyrimidine?
The canonical SMILES for 2,4-dichloro-5-ethyl-6-fluoropyrimidine is CCc1c(F)nc(Cl)nc1Cl.
What is the InChIKey of 2,4-dichloro-5-ethyl-6-fluoropyrimidine?
The InChIKey is XBIWHPMHWMXXPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5Cl2FN2/c1-2-3-4(7)10-6(8)11-5(3)9/h2H2,1H3.
What are the key properties of 2,4-dichloro-5-ethyl-6-fluoropyrimidine?
2,4-dichloro-5-ethyl-6-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 2,4-dichloro-5-ethyl-6-fluoropyrimidine is sourced from PubChem (CID 118333710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).