5,6-dichloro-3-ethylpyrimidin-4-one

C6H6Cl2N2O — CID 114583106

IUPAC5,6-dichloro-3-ethylpyrimidin-4-one
SMILESCCn1cnc(Cl)c(Cl)c1=O
InChIInChI=1S/C6H6Cl2N2O/c1-2-10-3-9-5(8)4(7)6(10)11/h3H,2H2,1H3
InChIKeyUBKXXXQPUVLLOJ-UHFFFAOYSA-N
MW193.03 g/mol
LogP1.57
Rot. Bonds1

About 5,6-dichloro-3-ethylpyrimidin-4-one

5,6-dichloro-3-ethylpyrimidin-4-one (PubChem CID 114583106) has the molecular formula C6H6Cl2N2O and a molecular weight of 193.03 g/mol. Its IUPAC name is 5,6-dichloro-3-ethylpyrimidin-4-one.

Molecular Properties

Compound Name5,6-dichloro-3-ethylpyrimidin-4-one
PubChem CID114583106
Molecular FormulaC6H6Cl2N2O
Molecular Weight193.03 g/mol
Exact Mass191.99
IUPAC Name5,6-dichloro-3-ethylpyrimidin-4-one
SMILESCCn1cnc(Cl)c(Cl)c1=O
InChIInChI=1S/C6H6Cl2N2O/c1-2-10-3-9-5(8)4(7)6(10)11/h3H,2H2,1H3
InChIKeyUBKXXXQPUVLLOJ-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

Analyze 5,6-dichloro-3-ethylpyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,5,6-Trichloro-3-methylpyrimidin-4(3H)-one
CID 118483215
5,6-Dichloro-3-(3,3,3-trifluoropropyl)pyrimidin-4-one
CID 114582912
5,6-Dichloro-3-(2,2,2-trifluoroethyl)pyrimidin-4-one
CID 114582924
5,6-Dichloro-3-(4,4,4-trifluorobutyl)pyrimidin-4-one
CID 114583013
5,6-Dichloro-3-(2,2-difluoroethyl)pyrimidin-4-one
CID 114583076
5,6-Dichloro-3-(2-fluoroethyl)pyrimidin-4-one
CID 114583172
5,6-Dichloro-3-(3-fluoropropyl)pyrimidin-4-one
CID 114583250
2,6-Dichloro-3-ethyl-4(3h)-pyrimidinone
CID 118483166
5-Chloro-3-methylpyrimidin-4(3H)-one
CID 121231875
5,6-Dichloro-2-ethyl-3-methylpyrimidin-4-one
CID 129126966
5-Chloro-3-propan-2-ylpyrimidin-4-one
CID 172299455
5,6-dichloro-1-methylpyrimidin-4(1H)-one
CID 85528424

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-3-ethylpyrimidin-4-one?
The IUPAC name of 5,6-dichloro-3-ethylpyrimidin-4-one (CID 114583106) is 5,6-dichloro-3-ethylpyrimidin-4-one.
What is the SMILES notation for 5,6-dichloro-3-ethylpyrimidin-4-one?
The canonical SMILES for 5,6-dichloro-3-ethylpyrimidin-4-one is CCn1cnc(Cl)c(Cl)c1=O.
What is the InChIKey of 5,6-dichloro-3-ethylpyrimidin-4-one?
The InChIKey is UBKXXXQPUVLLOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6Cl2N2O/c1-2-10-3-9-5(8)4(7)6(10)11/h3H,2H2,1H3.
What are the key properties of 5,6-dichloro-3-ethylpyrimidin-4-one?
5,6-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 5,6-dichloro-3-ethylpyrimidin-4-one is sourced from PubChem (CID 114583106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).