2,6-dimethyl-3-(2-piperidin-2-ylethyl)pyrimidin-4-one

C13H21N3O — CID 55237814

IUPAC2,6-dimethyl-3-(2-piperidin-2-ylethyl)pyrimidin-4-one
SMILESCc1cc(=O)n(CCC2CCCCN2)c(C)n1
InChIInChI=1S/C13H21N3O/c1-10-9-13(17)16(11(2)15-10)8-6-12-5-3-4-7-14-12/h9,12,14H,3-8H2,1-2H3
InChIKeyDMTKETJTOVFFDQ-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.39
Rot. Bonds3

About 2,6-dimethyl-3-(2-piperidin-2-ylethyl)pyrimidin-4-one

2,6-dimethyl-3-(2-piperidin-2-ylethyl)pyrimidin-4-one (PubChem CID 55237814) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 2,6-dimethyl-3-(2-piperidin-2-ylethyl)pyrimidin-4-one.

Molecular Properties

Compound Name2,6-dimethyl-3-(2-piperidin-2-ylethyl)pyrimidin-4-one
PubChem CID55237814
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name2,6-dimethyl-3-(2-piperidin-2-ylethyl)pyrimidin-4-one
SMILESCc1cc(=O)n(CCC2CCCCN2)c(C)n1
InChIInChI=1S/C13H21N3O/c1-10-9-13(17)16(11(2)15-10)8-6-12-5-3-4-7-14-12/h9,12,14H,3-8H2,1-2H3
InChIKeyDMTKETJTOVFFDQ-UHFFFAOYSA-N
XLogP1.39
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-3-(2-piperidin-2-ylethyl)pyrimidin-4-one?
The IUPAC name of 2,6-dimethyl-3-(2-piperidin-2-ylethyl)pyrimidin-4-one (CID 55237814) is 2,6-dimethyl-3-(2-piperidin-2-ylethyl)pyrimidin-4-one.
What is the SMILES notation for 2,6-dimethyl-3-(2-piperidin-2-ylethyl)pyrimidin-4-one?
The canonical SMILES for 2,6-dimethyl-3-(2-piperidin-2-ylethyl)pyrimidin-4-one is Cc1cc(=O)n(CCC2CCCCN2)c(C)n1.
What is the InChIKey of 2,6-dimethyl-3-(2-piperidin-2-ylethyl)pyrimidin-4-one?
The InChIKey is DMTKETJTOVFFDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-10-9-13(17)16(11(2)15-10)8-6-12-5-3-4-7-14-12/h9,12,14H,3-8H2,1-2H3.
What are the key properties of 2,6-dimethyl-3-(2-piperidin-2-ylethyl)pyrimidin-4-one?
2,6-dimethyl-3-(2-piperidin-2-ylethyl)pyrimidin-4-one has a molecular weight of 235.33 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-3-(2-piperidin-2-ylethyl)pyrimidin-4-one is sourced from PubChem (CID 55237814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).