4,6-dichloro-5-fluoro-2-(phenoxymethyl)pyrimidine

C11H7Cl2FN2O — CID 80550204

IUPAC4,6-dichloro-5-fluoro-2-(phenoxymethyl)pyrimidine
SMILESFc1c(Cl)nc(COc2ccccc2)nc1Cl
InChIInChI=1S/C11H7Cl2FN2O/c12-10-9(14)11(13)16-8(15-10)6-17-7-4-2-1-3-5-7/h1-5H,6H2
InChIKeyLVXUKUIRGAZXFR-UHFFFAOYSA-N
MW273.09 g/mol
LogP3.50
Rot. Bonds3

About 4,6-dichloro-5-fluoro-2-(phenoxymethyl)pyrimidine

4,6-dichloro-5-fluoro-2-(phenoxymethyl)pyrimidine (PubChem CID 80550204) has the molecular formula C11H7Cl2FN2O and a molecular weight of 273.09 g/mol. Its IUPAC name is 4,6-dichloro-5-fluoro-2-(phenoxymethyl)pyrimidine.

Molecular Properties

Compound Name4,6-dichloro-5-fluoro-2-(phenoxymethyl)pyrimidine
PubChem CID80550204
Molecular FormulaC11H7Cl2FN2O
Molecular Weight273.09 g/mol
Exact Mass271.99
IUPAC Name4,6-dichloro-5-fluoro-2-(phenoxymethyl)pyrimidine
SMILESFc1c(Cl)nc(COc2ccccc2)nc1Cl
InChIInChI=1S/C11H7Cl2FN2O/c12-10-9(14)11(13)16-8(15-10)6-17-7-4-2-1-3-5-7/h1-5H,6H2
InChIKeyLVXUKUIRGAZXFR-UHFFFAOYSA-N
XLogP3.50
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.09
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-5-fluoro-2-(phenoxymethyl)pyrimidine?
The IUPAC name of 4,6-dichloro-5-fluoro-2-(phenoxymethyl)pyrimidine (CID 80550204) is 4,6-dichloro-5-fluoro-2-(phenoxymethyl)pyrimidine.
What is the SMILES notation for 4,6-dichloro-5-fluoro-2-(phenoxymethyl)pyrimidine?
The canonical SMILES for 4,6-dichloro-5-fluoro-2-(phenoxymethyl)pyrimidine is Fc1c(Cl)nc(COc2ccccc2)nc1Cl.
What is the InChIKey of 4,6-dichloro-5-fluoro-2-(phenoxymethyl)pyrimidine?
The InChIKey is LVXUKUIRGAZXFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl2FN2O/c12-10-9(14)11(13)16-8(15-10)6-17-7-4-2-1-3-5-7/h1-5H,6H2.
What are the key properties of 4,6-dichloro-5-fluoro-2-(phenoxymethyl)pyrimidine?
4,6-dichloro-5-fluoro-2-(phenoxymethyl)pyrimidine has a molecular weight of 273.09 g/mol, XLogP of 3.50, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-5-fluoro-2-(phenoxymethyl)pyrimidine is sourced from PubChem (CID 80550204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).