4-chloro-2-ethoxy-5-fluoropyrimidine

C6H6ClFN2O — CID 2762962

IUPAC4-chloro-2-ethoxy-5-fluoropyrimidine
SMILESCCOc1ncc(F)c(Cl)n1
InChIInChI=1S/C6H6ClFN2O/c1-2-11-6-9-3-4(8)5(7)10-6/h3H,2H2,1H3
InChIKeyBUVSCQCSEWBHDI-UHFFFAOYSA-N
MW176.58 g/mol
LogP1.67
Rot. Bonds2

About 4-chloro-2-ethoxy-5-fluoropyrimidine

4-chloro-2-ethoxy-5-fluoropyrimidine (PubChem CID 2762962) has the molecular formula C6H6ClFN2O and a molecular weight of 176.58 g/mol. Its IUPAC name is 4-chloro-2-ethoxy-5-fluoropyrimidine.

Molecular Properties

Compound Name4-chloro-2-ethoxy-5-fluoropyrimidine
PubChem CID2762962
Molecular FormulaC6H6ClFN2O
Molecular Weight176.58 g/mol
Exact Mass176.02
IUPAC Name4-chloro-2-ethoxy-5-fluoropyrimidine
SMILESCCOc1ncc(F)c(Cl)n1
InChIInChI=1S/C6H6ClFN2O/c1-2-11-6-9-3-4(8)5(7)10-6/h3H,2H2,1H3
InChIKeyBUVSCQCSEWBHDI-UHFFFAOYSA-N
XLogP1.67
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.58
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-chloro-2-ethoxy-5-fluoropyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-ethoxy-5-fluoropyrimidine?
The IUPAC name of 4-chloro-2-ethoxy-5-fluoropyrimidine (CID 2762962) is 4-chloro-2-ethoxy-5-fluoropyrimidine.
What is the SMILES notation for 4-chloro-2-ethoxy-5-fluoropyrimidine?
The canonical SMILES for 4-chloro-2-ethoxy-5-fluoropyrimidine is CCOc1ncc(F)c(Cl)n1.
What is the InChIKey of 4-chloro-2-ethoxy-5-fluoropyrimidine?
The InChIKey is BUVSCQCSEWBHDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClFN2O/c1-2-11-6-9-3-4(8)5(7)10-6/h3H,2H2,1H3.
What are the key properties of 4-chloro-2-ethoxy-5-fluoropyrimidine?
4-chloro-2-ethoxy-5-fluoropyrimidine has a molecular weight of 176.58 g/mol, XLogP of 1.67, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-ethoxy-5-fluoropyrimidine is sourced from PubChem (CID 2762962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).