4-chloro-1-(2-chloro-6-methylpyrimidin-4-yl)pyrrolidin-2-one

C9H9Cl2N3O — CID 168688384

IUPAC4-chloro-1-(2-chloro-6-methylpyrimidin-4-yl)pyrrolidin-2-one
SMILESCc1cc(N2CC(Cl)CC2=O)nc(Cl)n1
InChIInChI=1S/C9H9Cl2N3O/c1-5-2-7(13-9(11)12-5)14-4-6(10)3-8(14)15/h2,6H,3-4H2,1H3
InChIKeyPEPFMTIXODDJQB-UHFFFAOYSA-N
MW246.10 g/mol
LogP1.78
Rot. Bonds1

About 4-chloro-1-(2-chloro-6-methylpyrimidin-4-yl)pyrrolidin-2-one

4-chloro-1-(2-chloro-6-methylpyrimidin-4-yl)pyrrolidin-2-one (PubChem CID 168688384) has the molecular formula C9H9Cl2N3O and a molecular weight of 246.10 g/mol. Its IUPAC name is 4-chloro-1-(2-chloro-6-methylpyrimidin-4-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-chloro-1-(2-chloro-6-methylpyrimidin-4-yl)pyrrolidin-2-one
PubChem CID168688384
Molecular FormulaC9H9Cl2N3O
Molecular Weight246.10 g/mol
Exact Mass245.01
IUPAC Name4-chloro-1-(2-chloro-6-methylpyrimidin-4-yl)pyrrolidin-2-one
SMILESCc1cc(N2CC(Cl)CC2=O)nc(Cl)n1
InChIInChI=1S/C9H9Cl2N3O/c1-5-2-7(13-9(11)12-5)14-4-6(10)3-8(14)15/h2,6H,3-4H2,1H3
InChIKeyPEPFMTIXODDJQB-UHFFFAOYSA-N
XLogP1.78
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.10
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 4-chloro-1-(2-chloro-6-methylpyrimidin-4-yl)pyrrolidin-2-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

1-(2-chloro-6-methylpyrimidin-4-yl)-4-sulfanylpyrrolidin-2-one
CID 168709142
1-(2-chloro-6-methylpyrimidin-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 168697064
1-(2-chloro-6-methylpyrimidin-4-yl)-5-oxopyrrolidine-3-sulfonamide
CID 168717979
4-chloro-1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-2-one
CID 168688388
S-[[1-(2-chloro-6-methylpyrimidin-4-yl)-5-oxopyrrolidin-3-yl]methyl] ethanethioate
CID 168667409
4-chloro-1-(6-methyl-2-pyridinyl)pyrrolidin-2-one
CID 168688343
3-(2-chloro-6-methylpyrimidin-4-yl)-1,3-oxazolidin-2-one
CID 130285167
S-[1-(2,6-dichloropyrimidin-4-yl)-5-oxopyrrolidin-3-yl] ethanethioate
CID 168707375
1-(2,6-dichloropyrimidin-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 168698527
4-chloro-1-(2-methylquinolin-6-yl)pyrrolidin-2-one
CID 168688156
4-chloro-1-[5-(4-methylphenyl)-1H-pyrazol-3-yl]pyrrolidin-2-one
CID 168688095
4-chloro-1-(3-hydroxy-6-methyl-2-pyridinyl)pyrrolidin-2-one
CID 168688103

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(2-chloro-6-methylpyrimidin-4-yl)pyrrolidin-2-one?
The IUPAC name of 4-chloro-1-(2-chloro-6-methylpyrimidin-4-yl)pyrrolidin-2-one (CID 168688384) is 4-chloro-1-(2-chloro-6-methylpyrimidin-4-yl)pyrrolidin-2-one.
What is the SMILES notation for 4-chloro-1-(2-chloro-6-methylpyrimidin-4-yl)pyrrolidin-2-one?
The canonical SMILES for 4-chloro-1-(2-chloro-6-methylpyrimidin-4-yl)pyrrolidin-2-one is Cc1cc(N2CC(Cl)CC2=O)nc(Cl)n1.
What is the InChIKey of 4-chloro-1-(2-chloro-6-methylpyrimidin-4-yl)pyrrolidin-2-one?
The InChIKey is PEPFMTIXODDJQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl2N3O/c1-5-2-7(13-9(11)12-5)14-4-6(10)3-8(14)15/h2,6H,3-4H2,1H3.
What are the key properties of 4-chloro-1-(2-chloro-6-methylpyrimidin-4-yl)pyrrolidin-2-one?
4-chloro-1-(2-chloro-6-methylpyrimidin-4-yl)pyrrolidin-2-one has a molecular weight of 246.10 g/mol, XLogP of 1.78, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(2-chloro-6-methylpyrimidin-4-yl)pyrrolidin-2-one is sourced from PubChem (CID 168688384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).