4-chloro-5-ethyl-6-fluoropyrimidine

C6H6ClFN2 — CID 155461547

IUPAC4-chloro-5-ethyl-6-fluoropyrimidine
SMILESCCc1c(F)ncnc1Cl
InChIInChI=1S/C6H6ClFN2/c1-2-4-5(7)9-3-10-6(4)8/h3H,2H2,1H3
InChIKeyMCTUFFIRYNUQLQ-UHFFFAOYSA-N
MW160.58 g/mol
LogP1.83
Rot. Bonds1

About 4-chloro-5-ethyl-6-fluoropyrimidine

4-chloro-5-ethyl-6-fluoropyrimidine (PubChem CID 155461547) has the molecular formula C6H6ClFN2 and a molecular weight of 160.58 g/mol. Its IUPAC name is 4-chloro-5-ethyl-6-fluoropyrimidine.

Molecular Properties

Compound Name4-chloro-5-ethyl-6-fluoropyrimidine
PubChem CID155461547
Molecular FormulaC6H6ClFN2
Molecular Weight160.58 g/mol
Exact Mass160.02
IUPAC Name4-chloro-5-ethyl-6-fluoropyrimidine
SMILESCCc1c(F)ncnc1Cl
InChIInChI=1S/C6H6ClFN2/c1-2-4-5(7)9-3-10-6(4)8/h3H,2H2,1H3
InChIKeyMCTUFFIRYNUQLQ-UHFFFAOYSA-N
XLogP1.83
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.58
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-ethyl-6-fluoropyrimidine?
The IUPAC name of 4-chloro-5-ethyl-6-fluoropyrimidine (CID 155461547) is 4-chloro-5-ethyl-6-fluoropyrimidine.
What is the SMILES notation for 4-chloro-5-ethyl-6-fluoropyrimidine?
The canonical SMILES for 4-chloro-5-ethyl-6-fluoropyrimidine is CCc1c(F)ncnc1Cl.
What is the InChIKey of 4-chloro-5-ethyl-6-fluoropyrimidine?
The InChIKey is MCTUFFIRYNUQLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClFN2/c1-2-4-5(7)9-3-10-6(4)8/h3H,2H2,1H3.
What are the key properties of 4-chloro-5-ethyl-6-fluoropyrimidine?
4-chloro-5-ethyl-6-fluoropyrimidine has a molecular weight of 160.58 g/mol, XLogP of 1.83, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-ethyl-6-fluoropyrimidine is sourced from PubChem (CID 155461547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).