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

C11H16ClN3O — CID 114582110

IUPAC6-chloro-3-(2-piperidin-1-ylethyl)pyrimidin-4-one
SMILESO=c1cc(Cl)ncn1CCN1CCCCC1
InChIInChI=1S/C11H16ClN3O/c12-10-8-11(16)15(9-13-10)7-6-14-4-2-1-3-5-14/h8-9H,1-7H2
InChIKeyPHGBMKPLQYDNDA-UHFFFAOYSA-N
MW241.72 g/mol
LogP1.38
Rot. Bonds3

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

6-chloro-3-(2-piperidin-1-ylethyl)pyrimidin-4-one (PubChem CID 114582110) has the molecular formula C11H16ClN3O and a molecular weight of 241.72 g/mol. Its IUPAC name is 6-chloro-3-(2-piperidin-1-ylethyl)pyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-3-(2-piperidin-1-ylethyl)pyrimidin-4-one
PubChem CID114582110
Molecular FormulaC11H16ClN3O
Molecular Weight241.72 g/mol
Exact Mass241.10
IUPAC Name6-chloro-3-(2-piperidin-1-ylethyl)pyrimidin-4-one
SMILESO=c1cc(Cl)ncn1CCN1CCCCC1
InChIInChI=1S/C11H16ClN3O/c12-10-8-11(16)15(9-13-10)7-6-14-4-2-1-3-5-14/h8-9H,1-7H2
InChIKeyPHGBMKPLQYDNDA-UHFFFAOYSA-N
XLogP1.38
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-Piperidin-1-ylpropyl)pyrimidin-4-one
CID 76336113
3-piperidin-1-yl-1-(4H-pyrimidin-3-yl)prop-2-en-1-one
CID 129188438
2-Chloro-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 83817408
6-Chloro-3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidin-4-one
CID 107913293
6-Chloro-3-(1-oxo-1-piperidin-1-ylpropan-2-yl)pyrimidin-4-one
CID 113604205
6-Chloro-2-ethyl-3-(2-piperidin-1-ylethyl)pyrimidin-4-one
CID 113604492
6-Chloro-2-methyl-3-(2-oxo-2-piperidin-1-ylethyl)pyrimidin-4-one
CID 114581659
6-Chloro-2-methyl-3-(2-piperidin-1-ylethyl)pyrimidin-4-one
CID 114581682
6-Chloro-3-pentylpyrimidin-4-one
CID 114582032
6-Chloro-3-octylpyrimidin-4-one
CID 114582033
6-Chloro-3-cyclohexylpyrimidin-4-one
CID 114582037
6-Chloro-3-(2-oxo-2-piperidin-1-ylethyl)pyrimidin-4-one
CID 114582085

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(2-piperidin-1-ylethyl)pyrimidin-4-one?
The IUPAC name of 6-chloro-3-(2-piperidin-1-ylethyl)pyrimidin-4-one (CID 114582110) is 6-chloro-3-(2-piperidin-1-ylethyl)pyrimidin-4-one.
What is the SMILES notation for 6-chloro-3-(2-piperidin-1-ylethyl)pyrimidin-4-one?
The canonical SMILES for 6-chloro-3-(2-piperidin-1-ylethyl)pyrimidin-4-one is O=c1cc(Cl)ncn1CCN1CCCCC1.
What is the InChIKey of 6-chloro-3-(2-piperidin-1-ylethyl)pyrimidin-4-one?
The InChIKey is PHGBMKPLQYDNDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O/c12-10-8-11(16)15(9-13-10)7-6-14-4-2-1-3-5-14/h8-9H,1-7H2.
What are the key properties of 6-chloro-3-(2-piperidin-1-ylethyl)pyrimidin-4-one?
6-chloro-3-(2-piperidin-1-ylethyl)pyrimidin-4-one has a molecular weight of 241.72 g/mol, XLogP of 1.38, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(2-piperidin-1-ylethyl)pyrimidin-4-one is sourced from PubChem (CID 114582110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).