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

C11H14ClN3O2 — CID 114582277

IUPAC6-chloro-3-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyrimidin-4-one
SMILESCC(C(=O)N1CCCC1)n1cnc(Cl)cc1=O
InChIInChI=1S/C11H14ClN3O2/c1-8(11(17)14-4-2-3-5-14)15-7-13-9(12)6-10(15)16/h6-8H,2-5H2,1H3
InChIKeySIBMLICFAUKOFQ-UHFFFAOYSA-N
MW255.70 g/mol
LogP1.08
Rot. Bonds2

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

6-chloro-3-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyrimidin-4-one (PubChem CID 114582277) has the molecular formula C11H14ClN3O2 and a molecular weight of 255.70 g/mol. Its IUPAC name is 6-chloro-3-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-3-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyrimidin-4-one
PubChem CID114582277
Molecular FormulaC11H14ClN3O2
Molecular Weight255.70 g/mol
Exact Mass255.08
IUPAC Name6-chloro-3-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyrimidin-4-one
SMILESCC(C(=O)N1CCCC1)n1cnc(Cl)cc1=O
InChIInChI=1S/C11H14ClN3O2/c1-8(11(17)14-4-2-3-5-14)15-7-13-9(12)6-10(15)16/h6-8H,2-5H2,1H3
InChIKeySIBMLICFAUKOFQ-UHFFFAOYSA-N
XLogP1.08
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 ≤ 51.08
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-(1-oxo-1-piperidin-1-ylpropan-2-yl)pyrimidin-4-one
CID 113604205
5,6-Dichloro-3-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyrimidin-4-one
CID 113604336
5-Bromo-6-chloro-3-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyrimidin-4-one
CID 113604394
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,N-diethylpropanamide
CID 114581636
6-Chloro-2-methyl-3-(1-methyl-2-oxopyrrolidin-3-yl)pyrimidin-4-one
CID 114581647
2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N,N-dimethylpropanamide
CID 114581671
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)propanamide
CID 114582053
2-(4-chloro-6-oxopyrimidin-1-yl)-N-methyl-N-propan-2-ylacetamide
CID 114582057

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyrimidin-4-one?
The IUPAC name of 6-chloro-3-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyrimidin-4-one (CID 114582277) is 6-chloro-3-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyrimidin-4-one.
What is the SMILES notation for 6-chloro-3-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyrimidin-4-one?
The canonical SMILES for 6-chloro-3-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyrimidin-4-one is CC(C(=O)N1CCCC1)n1cnc(Cl)cc1=O.
What is the InChIKey of 6-chloro-3-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyrimidin-4-one?
The InChIKey is SIBMLICFAUKOFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O2/c1-8(11(17)14-4-2-3-5-14)15-7-13-9(12)6-10(15)16/h6-8H,2-5H2,1H3.
What are the key properties of 6-chloro-3-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyrimidin-4-one?
6-chloro-3-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyrimidin-4-one has a molecular weight of 255.70 g/mol, XLogP of 1.08, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyrimidin-4-one is sourced from PubChem (CID 114582277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).