4,6-dichloro-2-(2-ethoxyethyl)-5-fluoropyrimidine

C8H9Cl2FN2O — CID 106815039

IUPAC4,6-dichloro-2-(2-ethoxyethyl)-5-fluoropyrimidine
SMILESCCOCCc1nc(Cl)c(F)c(Cl)n1
InChIInChI=1S/C8H9Cl2FN2O/c1-2-14-4-3-5-12-7(9)6(11)8(10)13-5/h2-4H2,1H3
InChIKeyFPXWPAIVEAYIHJ-UHFFFAOYSA-N
MW239.08 g/mol
LogP2.50
Rot. Bonds4

About 4,6-dichloro-2-(2-ethoxyethyl)-5-fluoropyrimidine

4,6-dichloro-2-(2-ethoxyethyl)-5-fluoropyrimidine (PubChem CID 106815039) has the molecular formula C8H9Cl2FN2O and a molecular weight of 239.08 g/mol. Its IUPAC name is 4,6-dichloro-2-(2-ethoxyethyl)-5-fluoropyrimidine.

Molecular Properties

Compound Name4,6-dichloro-2-(2-ethoxyethyl)-5-fluoropyrimidine
PubChem CID106815039
Molecular FormulaC8H9Cl2FN2O
Molecular Weight239.08 g/mol
Exact Mass238.01
IUPAC Name4,6-dichloro-2-(2-ethoxyethyl)-5-fluoropyrimidine
SMILESCCOCCc1nc(Cl)c(F)c(Cl)n1
InChIInChI=1S/C8H9Cl2FN2O/c1-2-14-4-3-5-12-7(9)6(11)8(10)13-5/h2-4H2,1H3
InChIKeyFPXWPAIVEAYIHJ-UHFFFAOYSA-N
XLogP2.50
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.08
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-2-(2-ethoxyethyl)-5-fluoropyrimidine?
The IUPAC name of 4,6-dichloro-2-(2-ethoxyethyl)-5-fluoropyrimidine (CID 106815039) is 4,6-dichloro-2-(2-ethoxyethyl)-5-fluoropyrimidine.
What is the SMILES notation for 4,6-dichloro-2-(2-ethoxyethyl)-5-fluoropyrimidine?
The canonical SMILES for 4,6-dichloro-2-(2-ethoxyethyl)-5-fluoropyrimidine is CCOCCc1nc(Cl)c(F)c(Cl)n1.
What is the InChIKey of 4,6-dichloro-2-(2-ethoxyethyl)-5-fluoropyrimidine?
The InChIKey is FPXWPAIVEAYIHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9Cl2FN2O/c1-2-14-4-3-5-12-7(9)6(11)8(10)13-5/h2-4H2,1H3.
What are the key properties of 4,6-dichloro-2-(2-ethoxyethyl)-5-fluoropyrimidine?
4,6-dichloro-2-(2-ethoxyethyl)-5-fluoropyrimidine has a molecular weight of 239.08 g/mol, XLogP of 2.50, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-2-(2-ethoxyethyl)-5-fluoropyrimidine is sourced from PubChem (CID 106815039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).