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

C12H19N3O — CID 63768849

IUPAC2,6-dimethyl-3-(piperidin-2-ylmethyl)pyrimidin-4-one
SMILESCc1cc(=O)n(CC2CCCCN2)c(C)n1
InChIInChI=1S/C12H19N3O/c1-9-7-12(16)15(10(2)14-9)8-11-5-3-4-6-13-11/h7,11,13H,3-6,8H2,1-2H3
InChIKeyPRIBVYNMHHIIDR-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.00
Rot. Bonds2

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

2,6-dimethyl-3-(piperidin-2-ylmethyl)pyrimidin-4-one (PubChem CID 63768849) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 2,6-dimethyl-3-(piperidin-2-ylmethyl)pyrimidin-4-one.

Molecular Properties

Compound Name2,6-dimethyl-3-(piperidin-2-ylmethyl)pyrimidin-4-one
PubChem CID63768849
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name2,6-dimethyl-3-(piperidin-2-ylmethyl)pyrimidin-4-one
SMILESCc1cc(=O)n(CC2CCCCN2)c(C)n1
InChIInChI=1S/C12H19N3O/c1-9-7-12(16)15(10(2)14-9)8-11-5-3-4-6-13-11/h7,11,13H,3-6,8H2,1-2H3
InChIKeyPRIBVYNMHHIIDR-UHFFFAOYSA-N
XLogP1.00
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.00
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-(piperidin-2-ylmethyl)pyrimidin-4-one?
The IUPAC name of 2,6-dimethyl-3-(piperidin-2-ylmethyl)pyrimidin-4-one (CID 63768849) is 2,6-dimethyl-3-(piperidin-2-ylmethyl)pyrimidin-4-one.
What is the SMILES notation for 2,6-dimethyl-3-(piperidin-2-ylmethyl)pyrimidin-4-one?
The canonical SMILES for 2,6-dimethyl-3-(piperidin-2-ylmethyl)pyrimidin-4-one is Cc1cc(=O)n(CC2CCCCN2)c(C)n1.
What is the InChIKey of 2,6-dimethyl-3-(piperidin-2-ylmethyl)pyrimidin-4-one?
The InChIKey is PRIBVYNMHHIIDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-9-7-12(16)15(10(2)14-9)8-11-5-3-4-6-13-11/h7,11,13H,3-6,8H2,1-2H3.
What are the key properties of 2,6-dimethyl-3-(piperidin-2-ylmethyl)pyrimidin-4-one?
2,6-dimethyl-3-(piperidin-2-ylmethyl)pyrimidin-4-one has a molecular weight of 221.30 g/mol, XLogP of 1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-3-(piperidin-2-ylmethyl)pyrimidin-4-one is sourced from PubChem (CID 63768849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).