4-chloro-5-fluoro-2-(methoxymethyl)-6-methylpyrimidine

C7H8ClFN2O — CID 62406027

IUPAC4-chloro-5-fluoro-2-(methoxymethyl)-6-methylpyrimidine
SMILESCOCc1nc(C)c(F)c(Cl)n1
InChIInChI=1S/C7H8ClFN2O/c1-4-6(9)7(8)11-5(10-4)3-12-2/h3H2,1-2H3
InChIKeyXBTGZHOJHWVXOO-UHFFFAOYSA-N
MW190.60 g/mol
LogP1.72
Rot. Bonds2

About 4-chloro-5-fluoro-2-(methoxymethyl)-6-methylpyrimidine

4-chloro-5-fluoro-2-(methoxymethyl)-6-methylpyrimidine (PubChem CID 62406027) has the molecular formula C7H8ClFN2O and a molecular weight of 190.60 g/mol. Its IUPAC name is 4-chloro-5-fluoro-2-(methoxymethyl)-6-methylpyrimidine.

Molecular Properties

Compound Name4-chloro-5-fluoro-2-(methoxymethyl)-6-methylpyrimidine
PubChem CID62406027
Molecular FormulaC7H8ClFN2O
Molecular Weight190.60 g/mol
Exact Mass190.03
IUPAC Name4-chloro-5-fluoro-2-(methoxymethyl)-6-methylpyrimidine
SMILESCOCc1nc(C)c(F)c(Cl)n1
InChIInChI=1S/C7H8ClFN2O/c1-4-6(9)7(8)11-5(10-4)3-12-2/h3H2,1-2H3
InChIKeyXBTGZHOJHWVXOO-UHFFFAOYSA-N
XLogP1.72
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 ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-fluoro-2-(methoxymethyl)-6-methylpyrimidine?
The IUPAC name of 4-chloro-5-fluoro-2-(methoxymethyl)-6-methylpyrimidine (CID 62406027) is 4-chloro-5-fluoro-2-(methoxymethyl)-6-methylpyrimidine.
What is the SMILES notation for 4-chloro-5-fluoro-2-(methoxymethyl)-6-methylpyrimidine?
The canonical SMILES for 4-chloro-5-fluoro-2-(methoxymethyl)-6-methylpyrimidine is COCc1nc(C)c(F)c(Cl)n1.
What is the InChIKey of 4-chloro-5-fluoro-2-(methoxymethyl)-6-methylpyrimidine?
The InChIKey is XBTGZHOJHWVXOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClFN2O/c1-4-6(9)7(8)11-5(10-4)3-12-2/h3H2,1-2H3.
What are the key properties of 4-chloro-5-fluoro-2-(methoxymethyl)-6-methylpyrimidine?
4-chloro-5-fluoro-2-(methoxymethyl)-6-methylpyrimidine has a molecular weight of 190.60 g/mol, XLogP of 1.72, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-fluoro-2-(methoxymethyl)-6-methylpyrimidine is sourced from PubChem (CID 62406027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).