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

C11H14ClN3O2 — CID 114581608

IUPAC6-chloro-2-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidin-4-one
SMILESCc1nc(Cl)cc(=O)n1CC(=O)N1CCCC1
InChIInChI=1S/C11H14ClN3O2/c1-8-13-9(12)6-10(16)15(8)7-11(17)14-4-2-3-5-14/h6H,2-5,7H2,1H3
InChIKeyYBBHLZBTKZDBPX-UHFFFAOYSA-N
MW255.70 g/mol
LogP0.83
Rot. Bonds2

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

6-chloro-2-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidin-4-one (PubChem CID 114581608) has the molecular formula C11H14ClN3O2 and a molecular weight of 255.70 g/mol. Its IUPAC name is 6-chloro-2-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-2-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidin-4-one
PubChem CID114581608
Molecular FormulaC11H14ClN3O2
Molecular Weight255.70 g/mol
Exact Mass255.08
IUPAC Name6-chloro-2-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidin-4-one
SMILESCc1nc(Cl)cc(=O)n1CC(=O)N1CCCC1
InChIInChI=1S/C11H14ClN3O2/c1-8-13-9(12)6-10(16)15(8)7-11(17)14-4-2-3-5-14/h6H,2-5,7H2,1H3
InChIKeyYBBHLZBTKZDBPX-UHFFFAOYSA-N
XLogP0.83
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.70
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-Dimethyl-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-3,4-dihydropyrimidin-4-one
CID 7748969
5-Iodo-2-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidin-4-one
CID 66342944
2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-cyclopropyl-N-ethylacetamide
CID 113604157
6-Chloro-2-ethyl-3-(3-pyrrolidin-1-ylpropyl)pyrimidin-4-one
CID 113604486
2-(4-chloro-2-cyclopropyl-6-oxopyrimidin-1-yl)-N-ethyl-N-methylacetamide
CID 113604568
2-(4-chloro-2-cyclopropyl-6-oxopyrimidin-1-yl)-N,N-diethylacetamide
CID 113604571
6-Chloro-3-(2-oxo-2-pyrrolidin-1-ylethyl)-2-propan-2-ylpyrimidin-4-one
CID 113604591
2-(4-chloro-6-oxo-2-propan-2-ylpyrimidin-1-yl)-N-ethyl-N-methylacetamide
CID 113604619
2-(4-chloro-6-oxo-2-propan-2-ylpyrimidin-1-yl)-N,N-diethylacetamide
CID 113604622
2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-methylacetamide
CID 114581614
2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-methyl-N-propan-2-ylacetamide
CID 114581631
2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N,N-diethylpropanamide
CID 114581636

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidin-4-one?
The IUPAC name of 6-chloro-2-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidin-4-one (CID 114581608) is 6-chloro-2-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidin-4-one.
What is the SMILES notation for 6-chloro-2-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidin-4-one?
The canonical SMILES for 6-chloro-2-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidin-4-one is Cc1nc(Cl)cc(=O)n1CC(=O)N1CCCC1.
What is the InChIKey of 6-chloro-2-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidin-4-one?
The InChIKey is YBBHLZBTKZDBPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O2/c1-8-13-9(12)6-10(16)15(8)7-11(17)14-4-2-3-5-14/h6H,2-5,7H2,1H3.
What are the key properties of 6-chloro-2-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidin-4-one?
6-chloro-2-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidin-4-one has a molecular weight of 255.70 g/mol, XLogP of 0.83, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidin-4-one is sourced from PubChem (CID 114581608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).