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

C11H17ClN4O — CID 114582549

IUPAC5-amino-6-chloro-3-(2-piperidin-1-ylethyl)pyrimidin-4-one
SMILESNc1c(Cl)ncn(CCN2CCCCC2)c1=O
InChIInChI=1S/C11H17ClN4O/c12-10-9(13)11(17)16(8-14-10)7-6-15-4-2-1-3-5-15/h8H,1-7,13H2
InChIKeyJWHHOVDJRLXYOJ-UHFFFAOYSA-N
MW256.74 g/mol
LogP0.96
Rot. Bonds3

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

5-amino-6-chloro-3-(2-piperidin-1-ylethyl)pyrimidin-4-one (PubChem CID 114582549) has the molecular formula C11H17ClN4O and a molecular weight of 256.74 g/mol. Its IUPAC name is 5-amino-6-chloro-3-(2-piperidin-1-ylethyl)pyrimidin-4-one.

Molecular Properties

Compound Name5-amino-6-chloro-3-(2-piperidin-1-ylethyl)pyrimidin-4-one
PubChem CID114582549
Molecular FormulaC11H17ClN4O
Molecular Weight256.74 g/mol
Exact Mass256.11
IUPAC Name5-amino-6-chloro-3-(2-piperidin-1-ylethyl)pyrimidin-4-one
SMILESNc1c(Cl)ncn(CCN2CCCCC2)c1=O
InChIInChI=1S/C11H17ClN4O/c12-10-9(13)11(17)16(8-14-10)7-6-15-4-2-1-3-5-15/h8H,1-7,13H2
InChIKeyJWHHOVDJRLXYOJ-UHFFFAOYSA-N
XLogP0.96
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.74
LogP ≤ 50.96
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
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
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
5-Amino-6-chloro-3-decylpyrimidin-4-one
CID 113604298
6-Chloro-3-(2-piperidin-1-ylethyl)pyrimidin-4-one
CID 114582110
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-(5-Amino-4-chloro-6-oxopyrimidin-1-yl)pentanenitrile
CID 114582487
5-Amino-6-chloro-3-(3-pyrrolidin-1-ylpropyl)pyrimidin-4-one
CID 114582506

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-chloro-3-(2-piperidin-1-ylethyl)pyrimidin-4-one?
The IUPAC name of 5-amino-6-chloro-3-(2-piperidin-1-ylethyl)pyrimidin-4-one (CID 114582549) is 5-amino-6-chloro-3-(2-piperidin-1-ylethyl)pyrimidin-4-one.
What is the SMILES notation for 5-amino-6-chloro-3-(2-piperidin-1-ylethyl)pyrimidin-4-one?
The canonical SMILES for 5-amino-6-chloro-3-(2-piperidin-1-ylethyl)pyrimidin-4-one is Nc1c(Cl)ncn(CCN2CCCCC2)c1=O.
What is the InChIKey of 5-amino-6-chloro-3-(2-piperidin-1-ylethyl)pyrimidin-4-one?
The InChIKey is JWHHOVDJRLXYOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN4O/c12-10-9(13)11(17)16(8-14-10)7-6-15-4-2-1-3-5-15/h8H,1-7,13H2.
What are the key properties of 5-amino-6-chloro-3-(2-piperidin-1-ylethyl)pyrimidin-4-one?
5-amino-6-chloro-3-(2-piperidin-1-ylethyl)pyrimidin-4-one has a molecular weight of 256.74 g/mol, XLogP of 0.96, 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-piperidin-1-ylethyl)pyrimidin-4-one is sourced from PubChem (CID 114582549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).