5-amino-6-chloro-3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidin-4-one

C12H19ClN4O — CID 107913294

IUPAC5-amino-6-chloro-3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidin-4-one
SMILESCN1CCCCC1CCn1cnc(Cl)c(N)c1=O
InChIInChI=1S/C12H19ClN4O/c1-16-6-3-2-4-9(16)5-7-17-8-15-11(13)10(14)12(17)18/h8-9H,2-7,14H2,1H3
InChIKeyZIZOGCAAWNAGGO-UHFFFAOYSA-N
MW270.76 g/mol
LogP1.35
Rot. Bonds3

About 5-amino-6-chloro-3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidin-4-one

5-amino-6-chloro-3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidin-4-one (PubChem CID 107913294) has the molecular formula C12H19ClN4O and a molecular weight of 270.76 g/mol. Its IUPAC name is 5-amino-6-chloro-3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidin-4-one.

Molecular Properties

Compound Name5-amino-6-chloro-3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidin-4-one
PubChem CID107913294
Molecular FormulaC12H19ClN4O
Molecular Weight270.76 g/mol
Exact Mass270.12
IUPAC Name5-amino-6-chloro-3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidin-4-one
SMILESCN1CCCCC1CCn1cnc(Cl)c(N)c1=O
InChIInChI=1S/C12H19ClN4O/c1-16-6-3-2-4-9(16)5-7-17-8-15-11(13)10(14)12(17)18/h8-9H,2-7,14H2,1H3
InChIKeyZIZOGCAAWNAGGO-UHFFFAOYSA-N
XLogP1.35
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-Amino-6-chloro-3-pentan-2-ylpyrimidin-4-one
CID 107885725
6-Chloro-3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidin-4-one
CID 107913293
5,6-Dichloro-3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidin-4-one
CID 107913295
6-Chloro-5-iodo-3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidin-4-one
CID 107913296
5-Amino-6-chloro-3-(1-oxo-1-piperidin-1-ylpropan-2-yl)pyrimidin-4-one
CID 113604255
5-Amino-6-chloro-3-decylpyrimidin-4-one
CID 113604298
5-Amino-6-chloro-3-pentylpyrimidin-4-one
CID 114582471
5-Amino-6-chloro-3-octylpyrimidin-4-one
CID 114582472
5-Amino-6-chloro-3-cyclohexylpyrimidin-4-one
CID 114582476
5-Amino-6-chloro-3-(2-oxo-2-piperidin-1-ylethyl)pyrimidin-4-one
CID 114582525
5-Amino-6-chloro-3-(2-piperidin-1-ylethyl)pyrimidin-4-one
CID 114582549
2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-cyclohexylpropanamide
CID 114582556

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-chloro-3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidin-4-one?
The IUPAC name of 5-amino-6-chloro-3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidin-4-one (CID 107913294) is 5-amino-6-chloro-3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidin-4-one.
What is the SMILES notation for 5-amino-6-chloro-3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidin-4-one?
The canonical SMILES for 5-amino-6-chloro-3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidin-4-one is CN1CCCCC1CCn1cnc(Cl)c(N)c1=O.
What is the InChIKey of 5-amino-6-chloro-3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidin-4-one?
The InChIKey is ZIZOGCAAWNAGGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN4O/c1-16-6-3-2-4-9(16)5-7-17-8-15-11(13)10(14)12(17)18/h8-9H,2-7,14H2,1H3.
What are the key properties of 5-amino-6-chloro-3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidin-4-one?
5-amino-6-chloro-3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidin-4-one has a molecular weight of 270.76 g/mol, XLogP of 1.35, 3 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-(1-methylpiperidin-2-yl)ethyl]pyrimidin-4-one is sourced from PubChem (CID 107913294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).