2,6-dichloro-3-ethylpyrimidin-4-one

C6H6Cl2N2O — CID 118483166

IUPAC2,6-dichloro-3-ethylpyrimidin-4-one
SMILESCCn1c(Cl)nc(Cl)cc1=O
InChIInChI=1S/C6H6Cl2N2O/c1-2-10-5(11)3-4(7)9-6(10)8/h3H,2H2,1H3
InChIKeyUNJBWYQXCFGOKD-UHFFFAOYSA-N
MW193.03 g/mol
LogP1.57
Rot. Bonds1

About 2,6-dichloro-3-ethylpyrimidin-4-one

2,6-dichloro-3-ethylpyrimidin-4-one (PubChem CID 118483166) has the molecular formula C6H6Cl2N2O and a molecular weight of 193.03 g/mol. Its IUPAC name is 2,6-dichloro-3-ethylpyrimidin-4-one.

Molecular Properties

Compound Name2,6-dichloro-3-ethylpyrimidin-4-one
PubChem CID118483166
Molecular FormulaC6H6Cl2N2O
Molecular Weight193.03 g/mol
Exact Mass191.99
IUPAC Name2,6-dichloro-3-ethylpyrimidin-4-one
SMILESCCn1c(Cl)nc(Cl)cc1=O
InChIInChI=1S/C6H6Cl2N2O/c1-2-10-5(11)3-4(7)9-6(10)8/h3H,2H2,1H3
InChIKeyUNJBWYQXCFGOKD-UHFFFAOYSA-N
XLogP1.57
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.03
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-3-ethylpyrimidin-4-one?
The IUPAC name of 2,6-dichloro-3-ethylpyrimidin-4-one (CID 118483166) is 2,6-dichloro-3-ethylpyrimidin-4-one.
What is the SMILES notation for 2,6-dichloro-3-ethylpyrimidin-4-one?
The canonical SMILES for 2,6-dichloro-3-ethylpyrimidin-4-one is CCn1c(Cl)nc(Cl)cc1=O.
What is the InChIKey of 2,6-dichloro-3-ethylpyrimidin-4-one?
The InChIKey is UNJBWYQXCFGOKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6Cl2N2O/c1-2-10-5(11)3-4(7)9-6(10)8/h3H,2H2,1H3.
What are the key properties of 2,6-dichloro-3-ethylpyrimidin-4-one?
2,6-dichloro-3-ethylpyrimidin-4-one has a molecular weight of 193.03 g/mol, XLogP of 1.57, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-3-ethylpyrimidin-4-one is sourced from PubChem (CID 118483166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).