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

C7H8ClFN2 — CID 143740717

IUPAC4-chloro-2-ethyl-6-fluoro-5-methylpyrimidine
SMILESCCc1nc(F)c(C)c(Cl)n1
InChIInChI=1S/C7H8ClFN2/c1-3-5-10-6(8)4(2)7(9)11-5/h3H2,1-2H3
InChIKeyNSFSVIYUEAJPGJ-UHFFFAOYSA-N
MW174.61 g/mol
LogP2.14
Rot. Bonds1

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

4-chloro-2-ethyl-6-fluoro-5-methylpyrimidine (PubChem CID 143740717) has the molecular formula C7H8ClFN2 and a molecular weight of 174.61 g/mol. Its IUPAC name is 4-chloro-2-ethyl-6-fluoro-5-methylpyrimidine.

Molecular Properties

Compound Name4-chloro-2-ethyl-6-fluoro-5-methylpyrimidine
PubChem CID143740717
Molecular FormulaC7H8ClFN2
Molecular Weight174.61 g/mol
Exact Mass174.04
IUPAC Name4-chloro-2-ethyl-6-fluoro-5-methylpyrimidine
SMILESCCc1nc(F)c(C)c(Cl)n1
InChIInChI=1S/C7H8ClFN2/c1-3-5-10-6(8)4(2)7(9)11-5/h3H2,1-2H3
InChIKeyNSFSVIYUEAJPGJ-UHFFFAOYSA-N
XLogP2.14
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.61
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-ethyl-6-fluoro-5-methylpyrimidine?
The IUPAC name of 4-chloro-2-ethyl-6-fluoro-5-methylpyrimidine (CID 143740717) is 4-chloro-2-ethyl-6-fluoro-5-methylpyrimidine.
What is the SMILES notation for 4-chloro-2-ethyl-6-fluoro-5-methylpyrimidine?
The canonical SMILES for 4-chloro-2-ethyl-6-fluoro-5-methylpyrimidine is CCc1nc(F)c(C)c(Cl)n1.
What is the InChIKey of 4-chloro-2-ethyl-6-fluoro-5-methylpyrimidine?
The InChIKey is NSFSVIYUEAJPGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClFN2/c1-3-5-10-6(8)4(2)7(9)11-5/h3H2,1-2H3.
What are the key properties of 4-chloro-2-ethyl-6-fluoro-5-methylpyrimidine?
4-chloro-2-ethyl-6-fluoro-5-methylpyrimidine has a molecular weight of 174.61 g/mol, XLogP of 2.14, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-ethyl-6-fluoro-5-methylpyrimidine is sourced from PubChem (CID 143740717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).