5,6-dichloro-2-ethyl-3-methylpyrimidin-4-one

C7H8Cl2N2O — CID 129126966

IUPAC5,6-dichloro-2-ethyl-3-methylpyrimidin-4-one
SMILESCCc1nc(Cl)c(Cl)c(=O)n1C
InChIInChI=1S/C7H8Cl2N2O/c1-3-4-10-6(9)5(8)7(12)11(4)2/h3H2,1-2H3
InChIKeyVCMSMUWYGIRGRJ-UHFFFAOYSA-N
MW207.06 g/mol
LogP1.65
Rot. Bonds1

About 5,6-dichloro-2-ethyl-3-methylpyrimidin-4-one

5,6-dichloro-2-ethyl-3-methylpyrimidin-4-one (PubChem CID 129126966) has the molecular formula C7H8Cl2N2O and a molecular weight of 207.06 g/mol. Its IUPAC name is 5,6-dichloro-2-ethyl-3-methylpyrimidin-4-one.

Molecular Properties

Compound Name5,6-dichloro-2-ethyl-3-methylpyrimidin-4-one
PubChem CID129126966
Molecular FormulaC7H8Cl2N2O
Molecular Weight207.06 g/mol
Exact Mass206.00
IUPAC Name5,6-dichloro-2-ethyl-3-methylpyrimidin-4-one
SMILESCCc1nc(Cl)c(Cl)c(=O)n1C
InChIInChI=1S/C7H8Cl2N2O/c1-3-4-10-6(9)5(8)7(12)11(4)2/h3H2,1-2H3
InChIKeyVCMSMUWYGIRGRJ-UHFFFAOYSA-N
XLogP1.65
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.06
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-2-ethyl-3-methylpyrimidin-4-one?
The IUPAC name of 5,6-dichloro-2-ethyl-3-methylpyrimidin-4-one (CID 129126966) is 5,6-dichloro-2-ethyl-3-methylpyrimidin-4-one.
What is the SMILES notation for 5,6-dichloro-2-ethyl-3-methylpyrimidin-4-one?
The canonical SMILES for 5,6-dichloro-2-ethyl-3-methylpyrimidin-4-one is CCc1nc(Cl)c(Cl)c(=O)n1C.
What is the InChIKey of 5,6-dichloro-2-ethyl-3-methylpyrimidin-4-one?
The InChIKey is VCMSMUWYGIRGRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8Cl2N2O/c1-3-4-10-6(9)5(8)7(12)11(4)2/h3H2,1-2H3.
What are the key properties of 5,6-dichloro-2-ethyl-3-methylpyrimidin-4-one?
5,6-dichloro-2-ethyl-3-methylpyrimidin-4-one has a molecular weight of 207.06 g/mol, XLogP of 1.65, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-2-ethyl-3-methylpyrimidin-4-one is sourced from PubChem (CID 129126966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).