6-chloro-3-(2,3-dichloroprop-2-enyl)-2-ethylpyrimidin-4-one

C9H9Cl3N2O — CID 104939633

IUPAC6-chloro-3-(2,3-dichloroprop-2-enyl)-2-ethylpyrimidin-4-one
SMILESCCc1nc(Cl)cc(=O)n1CC(Cl)=CCl
InChIInChI=1S/C9H9Cl3N2O/c1-2-8-13-7(12)3-9(15)14(8)5-6(11)4-10/h3-4H,2,5H2,1H3
InChIKeyQKMZMLIPCBFHSY-UHFFFAOYSA-N
MW267.54 g/mol
LogP2.78
Rot. Bonds3

About 6-chloro-3-(2,3-dichloroprop-2-enyl)-2-ethylpyrimidin-4-one

6-chloro-3-(2,3-dichloroprop-2-enyl)-2-ethylpyrimidin-4-one (PubChem CID 104939633) has the molecular formula C9H9Cl3N2O and a molecular weight of 267.54 g/mol. Its IUPAC name is 6-chloro-3-(2,3-dichloroprop-2-enyl)-2-ethylpyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-3-(2,3-dichloroprop-2-enyl)-2-ethylpyrimidin-4-one
PubChem CID104939633
Molecular FormulaC9H9Cl3N2O
Molecular Weight267.54 g/mol
Exact Mass265.98
IUPAC Name6-chloro-3-(2,3-dichloroprop-2-enyl)-2-ethylpyrimidin-4-one
SMILESCCc1nc(Cl)cc(=O)n1CC(Cl)=CCl
InChIInChI=1S/C9H9Cl3N2O/c1-2-8-13-7(12)3-9(15)14(8)5-6(11)4-10/h3-4H,2,5H2,1H3
InChIKeyQKMZMLIPCBFHSY-UHFFFAOYSA-N
XLogP2.78
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.54
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-Chloro-3-(3-fluoropropyl)-2-methylpyrimidin-4-one
CID 114581954
6-Chloro-2-ethyl-3-(3,3,3-trifluoropropyl)pyrimidin-4-one
CID 114584188
6-Chloro-2-ethyl-3-(2,2,2-trifluoroethyl)pyrimidin-4-one
CID 114584199
6-Chloro-3-(2,2-difluoroethyl)-2-ethylpyrimidin-4-one
CID 114584316
6-Chloro-2-ethyl-3-(2-fluoroethyl)pyrimidin-4-one
CID 114584391
6-Chloro-2-ethyl-3-(3-fluoropropyl)pyrimidin-4-one
CID 114584452
6-Chloro-3-(2-fluoroethyl)-2-propan-2-ylpyrimidin-4-one
CID 114585003
6-Chloro-3-(3-fluoropropyl)-2-propan-2-ylpyrimidin-4-one
CID 114585057
2-(Chloromethyl)-3,6-dimethyl-4(3H)-pyrimidinone
CID 53645330
6-Chloro-3-ethyl-2-methylpyrimidin-4-one
CID 114581811
6-Chloro-2,3-diethylpyrimidin-4-one
CID 114584343
6-Chloro-2-ethenyl-3-ethylpyrimidin-4-one
CID 118490029

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(2,3-dichloroprop-2-enyl)-2-ethylpyrimidin-4-one?
The IUPAC name of 6-chloro-3-(2,3-dichloroprop-2-enyl)-2-ethylpyrimidin-4-one (CID 104939633) is 6-chloro-3-(2,3-dichloroprop-2-enyl)-2-ethylpyrimidin-4-one.
What is the SMILES notation for 6-chloro-3-(2,3-dichloroprop-2-enyl)-2-ethylpyrimidin-4-one?
The canonical SMILES for 6-chloro-3-(2,3-dichloroprop-2-enyl)-2-ethylpyrimidin-4-one is CCc1nc(Cl)cc(=O)n1CC(Cl)=CCl.
What is the InChIKey of 6-chloro-3-(2,3-dichloroprop-2-enyl)-2-ethylpyrimidin-4-one?
The InChIKey is QKMZMLIPCBFHSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl3N2O/c1-2-8-13-7(12)3-9(15)14(8)5-6(11)4-10/h3-4H,2,5H2,1H3.
What are the key properties of 6-chloro-3-(2,3-dichloroprop-2-enyl)-2-ethylpyrimidin-4-one?
6-chloro-3-(2,3-dichloroprop-2-enyl)-2-ethylpyrimidin-4-one has a molecular weight of 267.54 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(2,3-dichloroprop-2-enyl)-2-ethylpyrimidin-4-one is sourced from PubChem (CID 104939633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).