2-chloro-4-ethyl-5-fluoro-6-methoxypyrimidine

C7H8ClFN2O — CID 58252166

IUPAC2-chloro-4-ethyl-5-fluoro-6-methoxypyrimidine
SMILESCCc1nc(Cl)nc(OC)c1F
InChIInChI=1S/C7H8ClFN2O/c1-3-4-5(9)6(12-2)11-7(8)10-4/h3H2,1-2H3
InChIKeyPNWLAJOBJOXONZ-UHFFFAOYSA-N
MW190.60 g/mol
LogP1.84
Rot. Bonds2

About 2-chloro-4-ethyl-5-fluoro-6-methoxypyrimidine

2-chloro-4-ethyl-5-fluoro-6-methoxypyrimidine (PubChem CID 58252166) has the molecular formula C7H8ClFN2O and a molecular weight of 190.60 g/mol. Its IUPAC name is 2-chloro-4-ethyl-5-fluoro-6-methoxypyrimidine.

Molecular Properties

Compound Name2-chloro-4-ethyl-5-fluoro-6-methoxypyrimidine
PubChem CID58252166
Molecular FormulaC7H8ClFN2O
Molecular Weight190.60 g/mol
Exact Mass190.03
IUPAC Name2-chloro-4-ethyl-5-fluoro-6-methoxypyrimidine
SMILESCCc1nc(Cl)nc(OC)c1F
InChIInChI=1S/C7H8ClFN2O/c1-3-4-5(9)6(12-2)11-7(8)10-4/h3H2,1-2H3
InChIKeyPNWLAJOBJOXONZ-UHFFFAOYSA-N
XLogP1.84
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 ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-ethyl-5-fluoro-6-methoxypyrimidine?
The IUPAC name of 2-chloro-4-ethyl-5-fluoro-6-methoxypyrimidine (CID 58252166) is 2-chloro-4-ethyl-5-fluoro-6-methoxypyrimidine.
What is the SMILES notation for 2-chloro-4-ethyl-5-fluoro-6-methoxypyrimidine?
The canonical SMILES for 2-chloro-4-ethyl-5-fluoro-6-methoxypyrimidine is CCc1nc(Cl)nc(OC)c1F.
What is the InChIKey of 2-chloro-4-ethyl-5-fluoro-6-methoxypyrimidine?
The InChIKey is PNWLAJOBJOXONZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClFN2O/c1-3-4-5(9)6(12-2)11-7(8)10-4/h3H2,1-2H3.
What are the key properties of 2-chloro-4-ethyl-5-fluoro-6-methoxypyrimidine?
2-chloro-4-ethyl-5-fluoro-6-methoxypyrimidine has a molecular weight of 190.60 g/mol, XLogP of 1.84, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-ethyl-5-fluoro-6-methoxypyrimidine is sourced from PubChem (CID 58252166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).