5-amino-6-chloro-3-(2-oxo-2-piperidin-1-ylethyl)pyrimidin-4-one

C11H15ClN4O2 — CID 114582525

IUPAC5-amino-6-chloro-3-(2-oxo-2-piperidin-1-ylethyl)pyrimidin-4-one
SMILESNc1c(Cl)ncn(CC(=O)N2CCCCC2)c1=O
InChIInChI=1S/C11H15ClN4O2/c12-10-9(13)11(18)16(7-14-10)6-8(17)15-4-2-1-3-5-15/h7H,1-6,13H2
InChIKeyILEGMQAZIGOUCP-UHFFFAOYSA-N
MW270.72 g/mol
LogP0.49
Rot. Bonds2

About 5-amino-6-chloro-3-(2-oxo-2-piperidin-1-ylethyl)pyrimidin-4-one

5-amino-6-chloro-3-(2-oxo-2-piperidin-1-ylethyl)pyrimidin-4-one (PubChem CID 114582525) has the molecular formula C11H15ClN4O2 and a molecular weight of 270.72 g/mol. Its IUPAC name is 5-amino-6-chloro-3-(2-oxo-2-piperidin-1-ylethyl)pyrimidin-4-one.

Molecular Properties

Compound Name5-amino-6-chloro-3-(2-oxo-2-piperidin-1-ylethyl)pyrimidin-4-one
PubChem CID114582525
Molecular FormulaC11H15ClN4O2
Molecular Weight270.72 g/mol
Exact Mass270.09
IUPAC Name5-amino-6-chloro-3-(2-oxo-2-piperidin-1-ylethyl)pyrimidin-4-one
SMILESNc1c(Cl)ncn(CC(=O)N2CCCCC2)c1=O
InChIInChI=1S/C11H15ClN4O2/c12-10-9(13)11(18)16(7-14-10)6-8(17)15-4-2-1-3-5-15/h7H,1-6,13H2
InChIKeyILEGMQAZIGOUCP-UHFFFAOYSA-N
XLogP0.49
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-5-piperidin-1-yl-1H-pyrimidin-6-one
CID 136343863
4-hydroxy-5-piperidin-1-yl-1H-pyrimidin-6-one
CID 172750722
5-Amino-6-chloro-3-pentan-2-ylpyrimidin-4-one
CID 107885725
5-Amino-6-chloro-3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidin-4-one
CID 107913294
2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N,N-diethylpropanamide
CID 113604252
5-Amino-6-chloro-3-(1-oxo-1-piperidin-1-ylpropan-2-yl)pyrimidin-4-one
CID 113604255
5-Amino-3-[2-(azepan-1-yl)-2-oxoethyl]-6-chloropyrimidin-4-one
CID 113604272
2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-pentylpropanamide
CID 113604291
2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-pentan-2-ylacetamide
CID 113604300
5,6-Dichloro-3-(1-oxo-1-piperidin-1-ylpropan-2-yl)pyrimidin-4-one
CID 113604312
6-Chloro-5-iodo-3-(2-oxo-2-piperidin-1-ylethyl)pyrimidin-4-one
CID 113604428
6-Chloro-5-iodo-3-(1-oxo-1-piperidin-1-ylpropan-2-yl)pyrimidin-4-one
CID 113604430

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-chloro-3-(2-oxo-2-piperidin-1-ylethyl)pyrimidin-4-one?
The IUPAC name of 5-amino-6-chloro-3-(2-oxo-2-piperidin-1-ylethyl)pyrimidin-4-one (CID 114582525) is 5-amino-6-chloro-3-(2-oxo-2-piperidin-1-ylethyl)pyrimidin-4-one.
What is the SMILES notation for 5-amino-6-chloro-3-(2-oxo-2-piperidin-1-ylethyl)pyrimidin-4-one?
The canonical SMILES for 5-amino-6-chloro-3-(2-oxo-2-piperidin-1-ylethyl)pyrimidin-4-one is Nc1c(Cl)ncn(CC(=O)N2CCCCC2)c1=O.
What is the InChIKey of 5-amino-6-chloro-3-(2-oxo-2-piperidin-1-ylethyl)pyrimidin-4-one?
The InChIKey is ILEGMQAZIGOUCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN4O2/c12-10-9(13)11(18)16(7-14-10)6-8(17)15-4-2-1-3-5-15/h7H,1-6,13H2.
What are the key properties of 5-amino-6-chloro-3-(2-oxo-2-piperidin-1-ylethyl)pyrimidin-4-one?
5-amino-6-chloro-3-(2-oxo-2-piperidin-1-ylethyl)pyrimidin-4-one has a molecular weight of 270.72 g/mol, XLogP of 0.49, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-chloro-3-(2-oxo-2-piperidin-1-ylethyl)pyrimidin-4-one is sourced from PubChem (CID 114582525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).