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

C10H11Cl3N2O — CID 104939634

IUPAC6-chloro-3-(2,3-dichloroprop-2-enyl)-2-propan-2-ylpyrimidin-4-one
SMILESCC(C)c1nc(Cl)cc(=O)n1CC(Cl)=CCl
InChIInChI=1S/C10H11Cl3N2O/c1-6(2)10-14-8(13)3-9(16)15(10)5-7(12)4-11/h3-4,6H,5H2,1-2H3
InChIKeyYROPKQBVRLVXIZ-UHFFFAOYSA-N
MW281.57 g/mol
LogP3.34
Rot. Bonds3

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

6-chloro-3-(2,3-dichloroprop-2-enyl)-2-propan-2-ylpyrimidin-4-one (PubChem CID 104939634) has the molecular formula C10H11Cl3N2O and a molecular weight of 281.57 g/mol. Its IUPAC name is 6-chloro-3-(2,3-dichloroprop-2-enyl)-2-propan-2-ylpyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-3-(2,3-dichloroprop-2-enyl)-2-propan-2-ylpyrimidin-4-one
PubChem CID104939634
Molecular FormulaC10H11Cl3N2O
Molecular Weight281.57 g/mol
Exact Mass279.99
IUPAC Name6-chloro-3-(2,3-dichloroprop-2-enyl)-2-propan-2-ylpyrimidin-4-one
SMILESCC(C)c1nc(Cl)cc(=O)n1CC(Cl)=CCl
InChIInChI=1S/C10H11Cl3N2O/c1-6(2)10-14-8(13)3-9(16)15(10)5-7(12)4-11/h3-4,6H,5H2,1-2H3
InChIKeyYROPKQBVRLVXIZ-UHFFFAOYSA-N
XLogP3.34
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.57
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6-chloro-3-(2,3-dichloroprop-2-enyl)-2-propan-2-ylpyrimidin-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

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-2-propan-2-yl-3-(3,3,3-trifluoropropyl)pyrimidin-4-one
CID 114584825
6-Chloro-2-propan-2-yl-3-(2,2,2-trifluoroethyl)pyrimidin-4-one
CID 114584833
6-Chloro-3-(2,2-difluoroethyl)-2-propan-2-ylpyrimidin-4-one
CID 114584931
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
6-Chloro-2,3-diethylpyrimidin-4-one
CID 114584343
5,6-Dichloro-3-methyl-2-propan-2-ylpyrimidin-4-one
CID 155417940
6-Chloro-2-(chloromethyl)-3-methylpyrimidin-4-one
CID 55298019
3-(2-Chloroethyl)-2,6-dimethylpyrimidin-4-one
CID 63768117
3-(3-Chloro-2-methylpropyl)-2,6-dimethylpyrimidin-4-one
CID 64232936

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(2,3-dichloroprop-2-enyl)-2-propan-2-ylpyrimidin-4-one?
The IUPAC name of 6-chloro-3-(2,3-dichloroprop-2-enyl)-2-propan-2-ylpyrimidin-4-one (CID 104939634) is 6-chloro-3-(2,3-dichloroprop-2-enyl)-2-propan-2-ylpyrimidin-4-one.
What is the SMILES notation for 6-chloro-3-(2,3-dichloroprop-2-enyl)-2-propan-2-ylpyrimidin-4-one?
The canonical SMILES for 6-chloro-3-(2,3-dichloroprop-2-enyl)-2-propan-2-ylpyrimidin-4-one is CC(C)c1nc(Cl)cc(=O)n1CC(Cl)=CCl.
What is the InChIKey of 6-chloro-3-(2,3-dichloroprop-2-enyl)-2-propan-2-ylpyrimidin-4-one?
The InChIKey is YROPKQBVRLVXIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl3N2O/c1-6(2)10-14-8(13)3-9(16)15(10)5-7(12)4-11/h3-4,6H,5H2,1-2H3.
What are the key properties of 6-chloro-3-(2,3-dichloroprop-2-enyl)-2-propan-2-ylpyrimidin-4-one?
6-chloro-3-(2,3-dichloroprop-2-enyl)-2-propan-2-ylpyrimidin-4-one has a molecular weight of 281.57 g/mol, XLogP of 3.34, 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-propan-2-ylpyrimidin-4-one is sourced from PubChem (CID 104939634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).