5,6-dichloro-3-(2-piperidin-1-ylethyl)pyrimidin-4-one

C11H15Cl2N3O — CID 114582977

IUPAC5,6-dichloro-3-(2-piperidin-1-ylethyl)pyrimidin-4-one
SMILESO=c1c(Cl)c(Cl)ncn1CCN1CCCCC1
InChIInChI=1S/C11H15Cl2N3O/c12-9-10(13)14-8-16(11(9)17)7-6-15-4-2-1-3-5-15/h8H,1-7H2
InChIKeyTYOGRBUBLHEDPF-UHFFFAOYSA-N
MW276.17 g/mol
LogP2.04
Rot. Bonds3

About 5,6-dichloro-3-(2-piperidin-1-ylethyl)pyrimidin-4-one

5,6-dichloro-3-(2-piperidin-1-ylethyl)pyrimidin-4-one (PubChem CID 114582977) has the molecular formula C11H15Cl2N3O and a molecular weight of 276.17 g/mol. Its IUPAC name is 5,6-dichloro-3-(2-piperidin-1-ylethyl)pyrimidin-4-one.

Molecular Properties

Compound Name5,6-dichloro-3-(2-piperidin-1-ylethyl)pyrimidin-4-one
PubChem CID114582977
Molecular FormulaC11H15Cl2N3O
Molecular Weight276.17 g/mol
Exact Mass275.06
IUPAC Name5,6-dichloro-3-(2-piperidin-1-ylethyl)pyrimidin-4-one
SMILESO=c1c(Cl)c(Cl)ncn1CCN1CCCCC1
InChIInChI=1S/C11H15Cl2N3O/c12-9-10(13)14-8-16(11(9)17)7-6-15-4-2-1-3-5-15/h8H,1-7H2
InChIKeyTYOGRBUBLHEDPF-UHFFFAOYSA-N
XLogP2.04
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.17
LogP ≤ 52.04
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
5,6-Dichloro-3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidin-4-one
CID 107913295
5,6-Dichloro-3-(1-oxo-1-piperidin-1-ylpropan-2-yl)pyrimidin-4-one
CID 113604312
5,6-Dichloro-3-[2-(4-methylpiperazin-1-yl)ethyl]pyrimidin-4-one
CID 113604318
6-Chloro-5-iodo-3-(2-oxo-2-piperidin-1-ylethyl)pyrimidin-4-one
CID 113604428
6-Chloro-3-(2-oxo-2-piperidin-1-ylethyl)pyrimidin-4-one
CID 114582085
6-Chloro-3-(2-piperidin-1-ylethyl)pyrimidin-4-one
CID 114582110
5,6-Dichloro-3-pentylpyrimidin-4-one
CID 114582900
5,6-Dichloro-3-cyclohexylpyrimidin-4-one
CID 114582906
5-(4,5-Dichloro-6-oxopyrimidin-1-yl)pentanenitrile
CID 114582917
5,6-Dichloro-3-(2-oxo-2-piperidin-1-ylethyl)pyrimidin-4-one
CID 114582953
5,6-Dichloro-3-[2-(diethylamino)ethyl]pyrimidin-4-one
CID 114582970

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-3-(2-piperidin-1-ylethyl)pyrimidin-4-one?
The IUPAC name of 5,6-dichloro-3-(2-piperidin-1-ylethyl)pyrimidin-4-one (CID 114582977) is 5,6-dichloro-3-(2-piperidin-1-ylethyl)pyrimidin-4-one.
What is the SMILES notation for 5,6-dichloro-3-(2-piperidin-1-ylethyl)pyrimidin-4-one?
The canonical SMILES for 5,6-dichloro-3-(2-piperidin-1-ylethyl)pyrimidin-4-one is O=c1c(Cl)c(Cl)ncn1CCN1CCCCC1.
What is the InChIKey of 5,6-dichloro-3-(2-piperidin-1-ylethyl)pyrimidin-4-one?
The InChIKey is TYOGRBUBLHEDPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl2N3O/c12-9-10(13)14-8-16(11(9)17)7-6-15-4-2-1-3-5-15/h8H,1-7H2.
What are the key properties of 5,6-dichloro-3-(2-piperidin-1-ylethyl)pyrimidin-4-one?
5,6-dichloro-3-(2-piperidin-1-ylethyl)pyrimidin-4-one has a molecular weight of 276.17 g/mol, XLogP of 2.04, 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-piperidin-1-ylethyl)pyrimidin-4-one is sourced from PubChem (CID 114582977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).