4-chloro-1-(2,4-dichloropyrimidin-5-yl)pyrrolidin-2-one

C8H6Cl3N3O — CID 168689444

IUPAC4-chloro-1-(2,4-dichloropyrimidin-5-yl)pyrrolidin-2-one
SMILESO=C1CC(Cl)CN1c1cnc(Cl)nc1Cl
InChIInChI=1S/C8H6Cl3N3O/c9-4-1-6(15)14(3-4)5-2-12-8(11)13-7(5)10/h2,4H,1,3H2
InChIKeyHFYRGBUGPMDOEH-UHFFFAOYSA-N
MW266.51 g/mol
LogP2.13
Rot. Bonds1

About 4-chloro-1-(2,4-dichloropyrimidin-5-yl)pyrrolidin-2-one

4-chloro-1-(2,4-dichloropyrimidin-5-yl)pyrrolidin-2-one (PubChem CID 168689444) has the molecular formula C8H6Cl3N3O and a molecular weight of 266.51 g/mol. Its IUPAC name is 4-chloro-1-(2,4-dichloropyrimidin-5-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-chloro-1-(2,4-dichloropyrimidin-5-yl)pyrrolidin-2-one
PubChem CID168689444
Molecular FormulaC8H6Cl3N3O
Molecular Weight266.51 g/mol
Exact Mass264.96
IUPAC Name4-chloro-1-(2,4-dichloropyrimidin-5-yl)pyrrolidin-2-one
SMILESO=C1CC(Cl)CN1c1cnc(Cl)nc1Cl
InChIInChI=1S/C8H6Cl3N3O/c9-4-1-6(15)14(3-4)5-2-12-8(11)13-7(5)10/h2,4H,1,3H2
InChIKeyHFYRGBUGPMDOEH-UHFFFAOYSA-N
XLogP2.13
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.51
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-1-(3,5-dichloropyrazin-2-yl)pyrrolidin-2-one
CID 168688926
4-chloro-1-(3,6-dichloropyridazin-4-yl)pyrrolidin-2-one
CID 168689693
1-(2-chloro-4-methylpyrimidin-5-yl)-4-hydroxypyrrolidin-2-one
CID 168702593
4-(chloromethyl)-1-(2-chloro-4-methylpyrimidin-5-yl)pyrrolidin-2-one
CID 168507867
1-(2-amino-4,5-dichlorophenyl)-4-chloropyrrolidin-2-one
CID 168688969
4-chloro-1-quinolin-8-ylpyrrolidin-2-one
CID 168689599
1-(2-bromo-5-methyl-3-pyridinyl)-4-chloropyrrolidin-2-one
CID 168688119
4-chloro-1-(3,5-dichloro-2,4-difluorophenyl)pyrrolidin-2-one
CID 168689041
4-chloro-1-(3,5-dichloro-2,6-difluoro-4-pyridinyl)pyrrolidin-2-one
CID 168688905
4-chloro-1-(2-chloro-6-methylpyrimidin-4-yl)pyrrolidin-2-one
CID 168688384
4-chloro-1-(2-fluoro-3-pyridinyl)pyrrolidin-2-one
CID 168689859
4-chloro-1-isoquinolin-8-ylpyrrolidin-2-one
CID 168689587

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(2,4-dichloropyrimidin-5-yl)pyrrolidin-2-one?
The IUPAC name of 4-chloro-1-(2,4-dichloropyrimidin-5-yl)pyrrolidin-2-one (CID 168689444) is 4-chloro-1-(2,4-dichloropyrimidin-5-yl)pyrrolidin-2-one.
What is the SMILES notation for 4-chloro-1-(2,4-dichloropyrimidin-5-yl)pyrrolidin-2-one?
The canonical SMILES for 4-chloro-1-(2,4-dichloropyrimidin-5-yl)pyrrolidin-2-one is O=C1CC(Cl)CN1c1cnc(Cl)nc1Cl.
What is the InChIKey of 4-chloro-1-(2,4-dichloropyrimidin-5-yl)pyrrolidin-2-one?
The InChIKey is HFYRGBUGPMDOEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Cl3N3O/c9-4-1-6(15)14(3-4)5-2-12-8(11)13-7(5)10/h2,4H,1,3H2.
What are the key properties of 4-chloro-1-(2,4-dichloropyrimidin-5-yl)pyrrolidin-2-one?
4-chloro-1-(2,4-dichloropyrimidin-5-yl)pyrrolidin-2-one has a molecular weight of 266.51 g/mol, XLogP of 2.13, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(2,4-dichloropyrimidin-5-yl)pyrrolidin-2-one is sourced from PubChem (CID 168689444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).