2-chloro-4-ethoxy-5-fluoro-6-methylpyrimidine

C7H8ClFN2O — CID 58252155

IUPAC2-chloro-4-ethoxy-5-fluoro-6-methylpyrimidine
SMILESCCOc1nc(Cl)nc(C)c1F
InChIInChI=1S/C7H8ClFN2O/c1-3-12-6-5(9)4(2)10-7(8)11-6/h3H2,1-2H3
InChIKeyJJIBFFAJPXXYBV-UHFFFAOYSA-N
MW190.60 g/mol
LogP1.98
Rot. Bonds2

About 2-chloro-4-ethoxy-5-fluoro-6-methylpyrimidine

2-chloro-4-ethoxy-5-fluoro-6-methylpyrimidine (PubChem CID 58252155) has the molecular formula C7H8ClFN2O and a molecular weight of 190.60 g/mol. Its IUPAC name is 2-chloro-4-ethoxy-5-fluoro-6-methylpyrimidine.

Molecular Properties

Compound Name2-chloro-4-ethoxy-5-fluoro-6-methylpyrimidine
PubChem CID58252155
Molecular FormulaC7H8ClFN2O
Molecular Weight190.60 g/mol
Exact Mass190.03
IUPAC Name2-chloro-4-ethoxy-5-fluoro-6-methylpyrimidine
SMILESCCOc1nc(Cl)nc(C)c1F
InChIInChI=1S/C7H8ClFN2O/c1-3-12-6-5(9)4(2)10-7(8)11-6/h3H2,1-2H3
InChIKeyJJIBFFAJPXXYBV-UHFFFAOYSA-N
XLogP1.98
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.60
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-ethoxy-5-fluoro-6-methylpyrimidine?
The IUPAC name of 2-chloro-4-ethoxy-5-fluoro-6-methylpyrimidine (CID 58252155) is 2-chloro-4-ethoxy-5-fluoro-6-methylpyrimidine.
What is the SMILES notation for 2-chloro-4-ethoxy-5-fluoro-6-methylpyrimidine?
The canonical SMILES for 2-chloro-4-ethoxy-5-fluoro-6-methylpyrimidine is CCOc1nc(Cl)nc(C)c1F.
What is the InChIKey of 2-chloro-4-ethoxy-5-fluoro-6-methylpyrimidine?
The InChIKey is JJIBFFAJPXXYBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClFN2O/c1-3-12-6-5(9)4(2)10-7(8)11-6/h3H2,1-2H3.
What are the key properties of 2-chloro-4-ethoxy-5-fluoro-6-methylpyrimidine?
2-chloro-4-ethoxy-5-fluoro-6-methylpyrimidine has a molecular weight of 190.60 g/mol, XLogP of 1.98, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-ethoxy-5-fluoro-6-methylpyrimidine is sourced from PubChem (CID 58252155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).