4-chloro-5-fluoro-2-[3-(methoxymethyl)phenyl]-6-methylpyrimidine

C13H12ClFN2O — CID 66000041

IUPAC4-chloro-5-fluoro-2-[3-(methoxymethyl)phenyl]-6-methylpyrimidine
SMILESCOCc1cccc(-c2nc(C)c(F)c(Cl)n2)c1
InChIInChI=1S/C13H12ClFN2O/c1-8-11(15)12(14)17-13(16-8)10-5-3-4-9(6-10)7-18-2/h3-6H,7H2,1-2H3
InChIKeySUFSBSOJQIYMGL-UHFFFAOYSA-N
MW266.70 g/mol
LogP3.39
Rot. Bonds3

About 4-chloro-5-fluoro-2-[3-(methoxymethyl)phenyl]-6-methylpyrimidine

4-chloro-5-fluoro-2-[3-(methoxymethyl)phenyl]-6-methylpyrimidine (PubChem CID 66000041) has the molecular formula C13H12ClFN2O and a molecular weight of 266.70 g/mol. Its IUPAC name is 4-chloro-5-fluoro-2-[3-(methoxymethyl)phenyl]-6-methylpyrimidine.

Molecular Properties

Compound Name4-chloro-5-fluoro-2-[3-(methoxymethyl)phenyl]-6-methylpyrimidine
PubChem CID66000041
Molecular FormulaC13H12ClFN2O
Molecular Weight266.70 g/mol
Exact Mass266.06
IUPAC Name4-chloro-5-fluoro-2-[3-(methoxymethyl)phenyl]-6-methylpyrimidine
SMILESCOCc1cccc(-c2nc(C)c(F)c(Cl)n2)c1
InChIInChI=1S/C13H12ClFN2O/c1-8-11(15)12(14)17-13(16-8)10-5-3-4-9(6-10)7-18-2/h3-6H,7H2,1-2H3
InChIKeySUFSBSOJQIYMGL-UHFFFAOYSA-N
XLogP3.39
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.70
LogP ≤ 53.39
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-[3-(methoxymethyl)phenyl]-6-methylpyrimidine?
The IUPAC name of 4-chloro-5-fluoro-2-[3-(methoxymethyl)phenyl]-6-methylpyrimidine (CID 66000041) is 4-chloro-5-fluoro-2-[3-(methoxymethyl)phenyl]-6-methylpyrimidine.
What is the SMILES notation for 4-chloro-5-fluoro-2-[3-(methoxymethyl)phenyl]-6-methylpyrimidine?
The canonical SMILES for 4-chloro-5-fluoro-2-[3-(methoxymethyl)phenyl]-6-methylpyrimidine is COCc1cccc(-c2nc(C)c(F)c(Cl)n2)c1.
What is the InChIKey of 4-chloro-5-fluoro-2-[3-(methoxymethyl)phenyl]-6-methylpyrimidine?
The InChIKey is SUFSBSOJQIYMGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClFN2O/c1-8-11(15)12(14)17-13(16-8)10-5-3-4-9(6-10)7-18-2/h3-6H,7H2,1-2H3.
What are the key properties of 4-chloro-5-fluoro-2-[3-(methoxymethyl)phenyl]-6-methylpyrimidine?
4-chloro-5-fluoro-2-[3-(methoxymethyl)phenyl]-6-methylpyrimidine has a molecular weight of 266.70 g/mol, XLogP of 3.39, 3 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-[3-(methoxymethyl)phenyl]-6-methylpyrimidine is sourced from PubChem (CID 66000041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).