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

C8H7Cl3N2O — CID 104939631

IUPAC6-chloro-3-(2,3-dichloroprop-2-enyl)-2-methylpyrimidin-4-one
SMILESCc1nc(Cl)cc(=O)n1CC(Cl)=CCl
InChIInChI=1S/C8H7Cl3N2O/c1-5-12-7(11)2-8(14)13(5)4-6(10)3-9/h2-3H,4H2,1H3
InChIKeyVUENKKWVVJBLLF-UHFFFAOYSA-N
MW253.52 g/mol
LogP2.52
Rot. Bonds2

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

6-chloro-3-(2,3-dichloroprop-2-enyl)-2-methylpyrimidin-4-one (PubChem CID 104939631) has the molecular formula C8H7Cl3N2O and a molecular weight of 253.52 g/mol. Its IUPAC name is 6-chloro-3-(2,3-dichloroprop-2-enyl)-2-methylpyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-3-(2,3-dichloroprop-2-enyl)-2-methylpyrimidin-4-one
PubChem CID104939631
Molecular FormulaC8H7Cl3N2O
Molecular Weight253.52 g/mol
Exact Mass251.96
IUPAC Name6-chloro-3-(2,3-dichloroprop-2-enyl)-2-methylpyrimidin-4-one
SMILESCc1nc(Cl)cc(=O)n1CC(Cl)=CCl
InChIInChI=1S/C8H7Cl3N2O/c1-5-12-7(11)2-8(14)13(5)4-6(10)3-9/h2-3H,4H2,1H3
InChIKeyVUENKKWVVJBLLF-UHFFFAOYSA-N
XLogP2.52
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.52
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6-chloro-3-(2,3-dichloroprop-2-enyl)-2-methylpyrimidin-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-3-(3-fluoropropyl)-2-methylpyrimidin-4-one
CID 114581954
2-(Chloromethyl)-3,6-dimethyl-4(3H)-pyrimidinone
CID 53645330
6-Chloro-2,3-dimethylpyrimidin-4(3H)-one
CID 53782366
6-Chloro-3-ethyl-2-methylpyrimidin-4-one
CID 114581811
6-Chloro-2,3-diethylpyrimidin-4-one
CID 114584343
2,6-Dichloro-3-ethyl-4(3h)-pyrimidinone
CID 118483166
6-Chloro-2-ethenyl-3-ethylpyrimidin-4-one
CID 118490029
6-Chloro-2-(chloromethyl)-3-methylpyrimidin-4-one
CID 55298019
3-(3-Chloropropyl)-2,6-dimethylpyrimidin-4-one
CID 63768115
3-(2-Chloroethyl)-2,6-dimethylpyrimidin-4-one
CID 63768117
3-(4-Chlorobut-2-enyl)-2,6-dimethylpyrimidin-4-one
CID 77051707
5-Bromo-3-(2,3-dichloroprop-2-enyl)-2-methylpyrimidin-4-one
CID 79173090

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(2,3-dichloroprop-2-enyl)-2-methylpyrimidin-4-one?
The IUPAC name of 6-chloro-3-(2,3-dichloroprop-2-enyl)-2-methylpyrimidin-4-one (CID 104939631) is 6-chloro-3-(2,3-dichloroprop-2-enyl)-2-methylpyrimidin-4-one.
What is the SMILES notation for 6-chloro-3-(2,3-dichloroprop-2-enyl)-2-methylpyrimidin-4-one?
The canonical SMILES for 6-chloro-3-(2,3-dichloroprop-2-enyl)-2-methylpyrimidin-4-one is Cc1nc(Cl)cc(=O)n1CC(Cl)=CCl.
What is the InChIKey of 6-chloro-3-(2,3-dichloroprop-2-enyl)-2-methylpyrimidin-4-one?
The InChIKey is VUENKKWVVJBLLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Cl3N2O/c1-5-12-7(11)2-8(14)13(5)4-6(10)3-9/h2-3H,4H2,1H3.
What are the key properties of 6-chloro-3-(2,3-dichloroprop-2-enyl)-2-methylpyrimidin-4-one?
6-chloro-3-(2,3-dichloroprop-2-enyl)-2-methylpyrimidin-4-one has a molecular weight of 253.52 g/mol, XLogP of 2.52, 2 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-methylpyrimidin-4-one is sourced from PubChem (CID 104939631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).