6-chloro-3-(1-methyl-2-oxopyrrolidin-3-yl)pyrimidin-4-one

C9H10ClN3O2 — CID 114582073

IUPAC6-chloro-3-(1-methyl-2-oxopyrrolidin-3-yl)pyrimidin-4-one
SMILESCN1CCC(n2cnc(Cl)cc2=O)C1=O
InChIInChI=1S/C9H10ClN3O2/c1-12-3-2-6(9(12)15)13-5-11-7(10)4-8(13)14/h4-6H,2-3H2,1H3
InChIKeyIEDDBKNSXAPWII-UHFFFAOYSA-N
MW227.65 g/mol
LogP0.30
Rot. Bonds1

About 6-chloro-3-(1-methyl-2-oxopyrrolidin-3-yl)pyrimidin-4-one

6-chloro-3-(1-methyl-2-oxopyrrolidin-3-yl)pyrimidin-4-one (PubChem CID 114582073) has the molecular formula C9H10ClN3O2 and a molecular weight of 227.65 g/mol. Its IUPAC name is 6-chloro-3-(1-methyl-2-oxopyrrolidin-3-yl)pyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-3-(1-methyl-2-oxopyrrolidin-3-yl)pyrimidin-4-one
PubChem CID114582073
Molecular FormulaC9H10ClN3O2
Molecular Weight227.65 g/mol
Exact Mass227.05
IUPAC Name6-chloro-3-(1-methyl-2-oxopyrrolidin-3-yl)pyrimidin-4-one
SMILESCN1CCC(n2cnc(Cl)cc2=O)C1=O
InChIInChI=1S/C9H10ClN3O2/c1-12-3-2-6(9(12)15)13-5-11-7(10)4-8(13)14/h4-6H,2-3H2,1H3
InChIKeyIEDDBKNSXAPWII-UHFFFAOYSA-N
XLogP0.30
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.65
LogP ≤ 50.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5,6-Dichloro-3-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyrimidin-4-one
CID 113604336
6-Chloro-2-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidin-4-one
CID 114581608
6-Chloro-2-methyl-3-(1-methyl-2-oxopyrrolidin-3-yl)pyrimidin-4-one
CID 114581647
6-Chloro-2-methyl-3-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyrimidin-4-one
CID 114581847
6-Chloro-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidin-4-one
CID 114582035
2-(4-chloro-6-oxopyrimidin-1-yl)-N-methyl-N-propan-2-ylacetamide
CID 114582057
2-(4-chloro-6-oxopyrimidin-1-yl)-N,N-diethylpropanamide
CID 114582063
2-(4-chloro-6-oxopyrimidin-1-yl)-N,N-dimethylpropanamide
CID 114582097
2-(4-chloro-6-oxopyrimidin-1-yl)-N-cyclopropyl-N-ethylacetamide
CID 114582160
2-(4-chloro-6-oxopyrimidin-1-yl)-N-cyclopropyl-N-methylacetamide
CID 114582228
6-Chloro-3-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyrimidin-4-one
CID 114582277
2-(4-Chloro-6-oxopyrimidin-1-yl)butanamide
CID 114582331

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(1-methyl-2-oxopyrrolidin-3-yl)pyrimidin-4-one?
The IUPAC name of 6-chloro-3-(1-methyl-2-oxopyrrolidin-3-yl)pyrimidin-4-one (CID 114582073) is 6-chloro-3-(1-methyl-2-oxopyrrolidin-3-yl)pyrimidin-4-one.
What is the SMILES notation for 6-chloro-3-(1-methyl-2-oxopyrrolidin-3-yl)pyrimidin-4-one?
The canonical SMILES for 6-chloro-3-(1-methyl-2-oxopyrrolidin-3-yl)pyrimidin-4-one is CN1CCC(n2cnc(Cl)cc2=O)C1=O.
What is the InChIKey of 6-chloro-3-(1-methyl-2-oxopyrrolidin-3-yl)pyrimidin-4-one?
The InChIKey is IEDDBKNSXAPWII-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN3O2/c1-12-3-2-6(9(12)15)13-5-11-7(10)4-8(13)14/h4-6H,2-3H2,1H3.
What are the key properties of 6-chloro-3-(1-methyl-2-oxopyrrolidin-3-yl)pyrimidin-4-one?
6-chloro-3-(1-methyl-2-oxopyrrolidin-3-yl)pyrimidin-4-one has a molecular weight of 227.65 g/mol, XLogP of 0.30, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(1-methyl-2-oxopyrrolidin-3-yl)pyrimidin-4-one is sourced from PubChem (CID 114582073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).