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

C12H10ClFN2O — CID 64855016

IUPAC4-chloro-6-(2-fluoro-5-methylphenoxy)-5-methylpyrimidine
SMILESCc1ccc(F)c(Oc2ncnc(Cl)c2C)c1
InChIInChI=1S/C12H10ClFN2O/c1-7-3-4-9(14)10(5-7)17-12-8(2)11(13)15-6-16-12/h3-6H,1-2H3
InChIKeyLVTRNIDNIREUAX-UHFFFAOYSA-N
MW252.68 g/mol
LogP3.68
Rot. Bonds2

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

4-chloro-6-(2-fluoro-5-methylphenoxy)-5-methylpyrimidine (PubChem CID 64855016) has the molecular formula C12H10ClFN2O and a molecular weight of 252.68 g/mol. Its IUPAC name is 4-chloro-6-(2-fluoro-5-methylphenoxy)-5-methylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-(2-fluoro-5-methylphenoxy)-5-methylpyrimidine
PubChem CID64855016
Molecular FormulaC12H10ClFN2O
Molecular Weight252.68 g/mol
Exact Mass252.05
IUPAC Name4-chloro-6-(2-fluoro-5-methylphenoxy)-5-methylpyrimidine
SMILESCc1ccc(F)c(Oc2ncnc(Cl)c2C)c1
InChIInChI=1S/C12H10ClFN2O/c1-7-3-4-9(14)10(5-7)17-12-8(2)11(13)15-6-16-12/h3-6H,1-2H3
InChIKeyLVTRNIDNIREUAX-UHFFFAOYSA-N
XLogP3.68
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.68
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(2-fluoro-5-methylphenoxy)-5-methylpyrimidine?
The IUPAC name of 4-chloro-6-(2-fluoro-5-methylphenoxy)-5-methylpyrimidine (CID 64855016) is 4-chloro-6-(2-fluoro-5-methylphenoxy)-5-methylpyrimidine.
What is the SMILES notation for 4-chloro-6-(2-fluoro-5-methylphenoxy)-5-methylpyrimidine?
The canonical SMILES for 4-chloro-6-(2-fluoro-5-methylphenoxy)-5-methylpyrimidine is Cc1ccc(F)c(Oc2ncnc(Cl)c2C)c1.
What is the InChIKey of 4-chloro-6-(2-fluoro-5-methylphenoxy)-5-methylpyrimidine?
The InChIKey is LVTRNIDNIREUAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClFN2O/c1-7-3-4-9(14)10(5-7)17-12-8(2)11(13)15-6-16-12/h3-6H,1-2H3.
What are the key properties of 4-chloro-6-(2-fluoro-5-methylphenoxy)-5-methylpyrimidine?
4-chloro-6-(2-fluoro-5-methylphenoxy)-5-methylpyrimidine has a molecular weight of 252.68 g/mol, XLogP of 3.68, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(2-fluoro-5-methylphenoxy)-5-methylpyrimidine is sourced from PubChem (CID 64855016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).