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

C12H17Cl2N3O — CID 107913295

IUPAC5,6-dichloro-3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidin-4-one
SMILESCN1CCCCC1CCn1cnc(Cl)c(Cl)c1=O
InChIInChI=1S/C12H17Cl2N3O/c1-16-6-3-2-4-9(16)5-7-17-8-15-11(14)10(13)12(17)18/h8-9H,2-7H2,1H3
InChIKeyCGRGSSPXMKOECE-UHFFFAOYSA-N
MW290.19 g/mol
LogP2.42
Rot. Bonds3

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

5,6-dichloro-3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidin-4-one (PubChem CID 107913295) has the molecular formula C12H17Cl2N3O and a molecular weight of 290.19 g/mol. Its IUPAC name is 5,6-dichloro-3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidin-4-one.

Molecular Properties

Compound Name5,6-dichloro-3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidin-4-one
PubChem CID107913295
Molecular FormulaC12H17Cl2N3O
Molecular Weight290.19 g/mol
Exact Mass289.07
IUPAC Name5,6-dichloro-3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidin-4-one
SMILESCN1CCCCC1CCn1cnc(Cl)c(Cl)c1=O
InChIInChI=1S/C12H17Cl2N3O/c1-16-6-3-2-4-9(16)5-7-17-8-15-11(14)10(13)12(17)18/h8-9H,2-7H2,1H3
InChIKeyCGRGSSPXMKOECE-UHFFFAOYSA-N
XLogP2.42
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.19
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5,6-Dichloro-3-pentan-2-ylpyrimidin-4-one
CID 107885728
6-Chloro-2-methyl-3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidin-4-one
CID 107913292
6-Chloro-3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidin-4-one
CID 107913293
5-Amino-6-chloro-3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidin-4-one
CID 107913294
6-Chloro-5-iodo-3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidin-4-one
CID 107913296
5,6-Dichloro-3-(1-oxo-1-piperidin-1-ylpropan-2-yl)pyrimidin-4-one
CID 113604312
5,6-Dichloro-3-decylpyrimidin-4-one
CID 113604356
5-Bromo-6-chloro-3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidin-4-one
CID 114015212
5,6-Dichloro-3-pentylpyrimidin-4-one
CID 114582900
5,6-Dichloro-3-octylpyrimidin-4-one
CID 114582901
5,6-Dichloro-3-cyclohexylpyrimidin-4-one
CID 114582906
5,6-Dichloro-3-(2-piperidin-1-ylethyl)pyrimidin-4-one
CID 114582977

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidin-4-one?
The IUPAC name of 5,6-dichloro-3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidin-4-one (CID 107913295) is 5,6-dichloro-3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidin-4-one.
What is the SMILES notation for 5,6-dichloro-3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidin-4-one?
The canonical SMILES for 5,6-dichloro-3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidin-4-one is CN1CCCCC1CCn1cnc(Cl)c(Cl)c1=O.
What is the InChIKey of 5,6-dichloro-3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidin-4-one?
The InChIKey is CGRGSSPXMKOECE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Cl2N3O/c1-16-6-3-2-4-9(16)5-7-17-8-15-11(14)10(13)12(17)18/h8-9H,2-7H2,1H3.
What are the key properties of 5,6-dichloro-3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidin-4-one?
5,6-dichloro-3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidin-4-one has a molecular weight of 290.19 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidin-4-one is sourced from PubChem (CID 107913295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).