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

C9H9Cl2N3O2 — CID 168687885

IUPAC4-chloro-1-(4-chloro-6-methoxypyrimidin-2-yl)pyrrolidin-2-one
SMILESCOc1cc(Cl)nc(N2CC(Cl)CC2=O)n1
InChIInChI=1S/C9H9Cl2N3O2/c1-16-7-3-6(11)12-9(13-7)14-4-5(10)2-8(14)15/h3,5H,2,4H2,1H3
InChIKeyRCRFLAVKQJROCK-UHFFFAOYSA-N
MW262.10 g/mol
LogP1.48
Rot. Bonds2

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

4-chloro-1-(4-chloro-6-methoxypyrimidin-2-yl)pyrrolidin-2-one (PubChem CID 168687885) has the molecular formula C9H9Cl2N3O2 and a molecular weight of 262.10 g/mol. Its IUPAC name is 4-chloro-1-(4-chloro-6-methoxypyrimidin-2-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-chloro-1-(4-chloro-6-methoxypyrimidin-2-yl)pyrrolidin-2-one
PubChem CID168687885
Molecular FormulaC9H9Cl2N3O2
Molecular Weight262.10 g/mol
Exact Mass261.01
IUPAC Name4-chloro-1-(4-chloro-6-methoxypyrimidin-2-yl)pyrrolidin-2-one
SMILESCOc1cc(Cl)nc(N2CC(Cl)CC2=O)n1
InChIInChI=1S/C9H9Cl2N3O2/c1-16-7-3-6(11)12-9(13-7)14-4-5(10)2-8(14)15/h3,5H,2,4H2,1H3
InChIKeyRCRFLAVKQJROCK-UHFFFAOYSA-N
XLogP1.48
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.10
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-2-one
CID 168688388
1-(4-amino-6-methoxypyrimidin-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 168696634
1-(4,6-dimethoxypyrimidin-2-yl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168662484
1-(4-chloro-6-methylpyrimidin-2-yl)-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168670618
4-amino-1-(4,6-dichloropyrimidin-2-yl)pyrrolidin-2-one
CID 168701271
1-(4,6-dichloropyrimidin-2-yl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168712929
4-(aminomethyl)-1-(4-chloro-6-methylpyrimidin-2-yl)pyrrolidin-2-one
CID 168659951
4-chloro-1-(2-methyltetrazol-5-yl)pyrrolidin-2-one
CID 168688452
4-chloro-1-(2-chloro-6-methylpyrimidin-4-yl)pyrrolidin-2-one
CID 168688384
4-chloro-1-(2,6-difluoro-4-methoxyphenyl)pyrrolidin-2-one
CID 168687823
1-(4,6-dichloropyrimidin-2-yl)-5-oxopyrrolidine-3-sulfonamide
CID 168719537
4-chloro-1-(3,6-dichloropyridazin-4-yl)pyrrolidin-2-one
CID 168689693

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(4-chloro-6-methoxypyrimidin-2-yl)pyrrolidin-2-one?
The IUPAC name of 4-chloro-1-(4-chloro-6-methoxypyrimidin-2-yl)pyrrolidin-2-one (CID 168687885) is 4-chloro-1-(4-chloro-6-methoxypyrimidin-2-yl)pyrrolidin-2-one.
What is the SMILES notation for 4-chloro-1-(4-chloro-6-methoxypyrimidin-2-yl)pyrrolidin-2-one?
The canonical SMILES for 4-chloro-1-(4-chloro-6-methoxypyrimidin-2-yl)pyrrolidin-2-one is COc1cc(Cl)nc(N2CC(Cl)CC2=O)n1.
What is the InChIKey of 4-chloro-1-(4-chloro-6-methoxypyrimidin-2-yl)pyrrolidin-2-one?
The InChIKey is RCRFLAVKQJROCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl2N3O2/c1-16-7-3-6(11)12-9(13-7)14-4-5(10)2-8(14)15/h3,5H,2,4H2,1H3.
What are the key properties of 4-chloro-1-(4-chloro-6-methoxypyrimidin-2-yl)pyrrolidin-2-one?
4-chloro-1-(4-chloro-6-methoxypyrimidin-2-yl)pyrrolidin-2-one has a molecular weight of 262.10 g/mol, XLogP of 1.48, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(4-chloro-6-methoxypyrimidin-2-yl)pyrrolidin-2-one is sourced from PubChem (CID 168687885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).