6-chloro-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidin-4-one

C10H12ClN3O2 — CID 114582035

IUPAC6-chloro-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidin-4-one
SMILESO=C(Cn1cnc(Cl)cc1=O)N1CCCC1
InChIInChI=1S/C10H12ClN3O2/c11-8-5-9(15)14(7-12-8)6-10(16)13-3-1-2-4-13/h5,7H,1-4,6H2
InChIKeyOMHWTEBQDZOQSR-UHFFFAOYSA-N
MW241.68 g/mol
LogP0.52
Rot. Bonds2

About 6-chloro-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidin-4-one

6-chloro-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidin-4-one (PubChem CID 114582035) has the molecular formula C10H12ClN3O2 and a molecular weight of 241.68 g/mol. Its IUPAC name is 6-chloro-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidin-4-one
PubChem CID114582035
Molecular FormulaC10H12ClN3O2
Molecular Weight241.68 g/mol
Exact Mass241.06
IUPAC Name6-chloro-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidin-4-one
SMILESO=C(Cn1cnc(Cl)cc1=O)N1CCCC1
InChIInChI=1S/C10H12ClN3O2/c11-8-5-9(15)14(7-12-8)6-10(16)13-3-1-2-4-13/h5,7H,1-4,6H2
InChIKeyOMHWTEBQDZOQSR-UHFFFAOYSA-N
XLogP0.52
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.68
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-methyl-3-(2-oxo-2-(pyrrolidin-1-yl)ethyl)pyrimidin-4(3H)-one
CID 45534911
6-Chloro-3-(2-oxo-2-pyrrolidin-1-ylethyl)-2-propan-2-ylpyrimidin-4-one
CID 113604591
6-Chloro-2-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidin-4-one
CID 114581608
6-Chloro-2-methyl-3-(2-pyrrolidin-1-ylethyl)pyrimidin-4-one
CID 114581830
6-Chloro-2-methyl-3-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyrimidin-4-one
CID 114581847
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
6-Chloro-3-(3-pyrrolidin-1-ylpropyl)pyrimidin-4-one
CID 114582067
6-Chloro-3-(1-methyl-2-oxopyrrolidin-3-yl)pyrimidin-4-one
CID 114582073
6-Chloro-3-(2-oxo-2-piperidin-1-ylethyl)pyrimidin-4-one
CID 114582085
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

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidin-4-one?
The IUPAC name of 6-chloro-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidin-4-one (CID 114582035) is 6-chloro-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidin-4-one.
What is the SMILES notation for 6-chloro-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidin-4-one?
The canonical SMILES for 6-chloro-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidin-4-one is O=C(Cn1cnc(Cl)cc1=O)N1CCCC1.
What is the InChIKey of 6-chloro-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidin-4-one?
The InChIKey is OMHWTEBQDZOQSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3O2/c11-8-5-9(15)14(7-12-8)6-10(16)13-3-1-2-4-13/h5,7H,1-4,6H2.
What are the key properties of 6-chloro-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidin-4-one?
6-chloro-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidin-4-one has a molecular weight of 241.68 g/mol, XLogP of 0.52, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidin-4-one is sourced from PubChem (CID 114582035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).