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

C10H12ClN3O2 — CID 114581647

IUPAC6-chloro-2-methyl-3-(1-methyl-2-oxopyrrolidin-3-yl)pyrimidin-4-one
SMILESCc1nc(Cl)cc(=O)n1C1CCN(C)C1=O
InChIInChI=1S/C10H12ClN3O2/c1-6-12-8(11)5-9(15)14(6)7-3-4-13(2)10(7)16/h5,7H,3-4H2,1-2H3
InChIKeyYZEGPYYYGUSLLL-UHFFFAOYSA-N
MW241.68 g/mol
LogP0.61
Rot. Bonds1

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

6-chloro-2-methyl-3-(1-methyl-2-oxopyrrolidin-3-yl)pyrimidin-4-one (PubChem CID 114581647) has the molecular formula C10H12ClN3O2 and a molecular weight of 241.68 g/mol. Its IUPAC name is 6-chloro-2-methyl-3-(1-methyl-2-oxopyrrolidin-3-yl)pyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-2-methyl-3-(1-methyl-2-oxopyrrolidin-3-yl)pyrimidin-4-one
PubChem CID114581647
Molecular FormulaC10H12ClN3O2
Molecular Weight241.68 g/mol
Exact Mass241.06
IUPAC Name6-chloro-2-methyl-3-(1-methyl-2-oxopyrrolidin-3-yl)pyrimidin-4-one
SMILESCc1nc(Cl)cc(=O)n1C1CCN(C)C1=O
InChIInChI=1S/C10H12ClN3O2/c1-6-12-8(11)5-9(15)14(6)7-3-4-13(2)10(7)16/h5,7H,3-4H2,1-2H3
InChIKeyYZEGPYYYGUSLLL-UHFFFAOYSA-N
XLogP0.61
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.68
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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
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
2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N,N-dimethylpropanamide
CID 114581671
2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-cyclopropyl-N-methylacetamide
CID 114581799
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-2-methyl-6-oxopyrimidin-1-yl)butanamide
CID 114581892
6-Chloro-3-(1-methyl-2-oxopyrrolidin-3-yl)pyrimidin-4-one
CID 114582073
6-Chloro-3-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyrimidin-4-one
CID 114582277
5,6-Dichloro-3-(1-methyl-2-oxopyrrolidin-3-yl)pyrimidin-4-one
CID 114582939

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-methyl-3-(1-methyl-2-oxopyrrolidin-3-yl)pyrimidin-4-one?
The IUPAC name of 6-chloro-2-methyl-3-(1-methyl-2-oxopyrrolidin-3-yl)pyrimidin-4-one (CID 114581647) is 6-chloro-2-methyl-3-(1-methyl-2-oxopyrrolidin-3-yl)pyrimidin-4-one.
What is the SMILES notation for 6-chloro-2-methyl-3-(1-methyl-2-oxopyrrolidin-3-yl)pyrimidin-4-one?
The canonical SMILES for 6-chloro-2-methyl-3-(1-methyl-2-oxopyrrolidin-3-yl)pyrimidin-4-one is Cc1nc(Cl)cc(=O)n1C1CCN(C)C1=O.
What is the InChIKey of 6-chloro-2-methyl-3-(1-methyl-2-oxopyrrolidin-3-yl)pyrimidin-4-one?
The InChIKey is YZEGPYYYGUSLLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3O2/c1-6-12-8(11)5-9(15)14(6)7-3-4-13(2)10(7)16/h5,7H,3-4H2,1-2H3.
What are the key properties of 6-chloro-2-methyl-3-(1-methyl-2-oxopyrrolidin-3-yl)pyrimidin-4-one?
6-chloro-2-methyl-3-(1-methyl-2-oxopyrrolidin-3-yl)pyrimidin-4-one has a molecular weight of 241.68 g/mol, XLogP of 0.61, 1 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-(1-methyl-2-oxopyrrolidin-3-yl)pyrimidin-4-one is sourced from PubChem (CID 114581647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).