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

C12H19N3O — CID 63768677

IUPAC2,6-dimethyl-3-(piperidin-4-ylmethyl)pyrimidin-4-one
SMILESCc1cc(=O)n(CC2CCNCC2)c(C)n1
InChIInChI=1S/C12H19N3O/c1-9-7-12(16)15(10(2)14-9)8-11-3-5-13-6-4-11/h7,11,13H,3-6,8H2,1-2H3
InChIKeyBETWTUYGQNYIIX-UHFFFAOYSA-N
MW221.30 g/mol
LogP0.86
Rot. Bonds2

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

2,6-dimethyl-3-(piperidin-4-ylmethyl)pyrimidin-4-one (PubChem CID 63768677) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 2,6-dimethyl-3-(piperidin-4-ylmethyl)pyrimidin-4-one.

Molecular Properties

Compound Name2,6-dimethyl-3-(piperidin-4-ylmethyl)pyrimidin-4-one
PubChem CID63768677
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name2,6-dimethyl-3-(piperidin-4-ylmethyl)pyrimidin-4-one
SMILESCc1cc(=O)n(CC2CCNCC2)c(C)n1
InChIInChI=1S/C12H19N3O/c1-9-7-12(16)15(10(2)14-9)8-11-3-5-13-6-4-11/h7,11,13H,3-6,8H2,1-2H3
InChIKeyBETWTUYGQNYIIX-UHFFFAOYSA-N
XLogP0.86
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 ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-hydroxy-4-methyl-1-(piperidin-4-ylmethyl)pyridin-2-one
CID 105479328
2-methoxy-6-methyl-3-(piperidin-3-ylmethyl)pyrimidin-4-one
CID 79367324
1,4-dimethyl-7-(piperidin-4-ylmethyl)pyrazolo[5,4-b]pyridin-6-one
CID 82105316
6-methyl-2-(piperidin-4-ylmethyl)pyridazin-3-one
CID 62922665
6-methyl-7-(piperidin-4-ylmethyl)-[1,3]dioxolo[4,5-f]benzimidazole
CID 82149708
3-[2-(2-aminocyclopentyl)ethyl]-2,6-dimethylpyrimidin-4-one
CID 79573341
2-methyl-1-(piperidin-4-ylmethyl)imidazo[4,5-c]pyridine
CID 10847078
3-(2-cyclopentyl-2-hydroxyethyl)-2,6-dimethylpyrimidin-4-one
CID 104753256
5-methyl-2-(piperidin-4-ylmethyl)-2,6,11-triazatricyclo[5.3.1.04,11]undeca-1(10),4,6,8-tetraen-3-one
CID 21190260
6-methyl-4-(2-piperidin-4-ylethyl)-1H-pyrimidin-2-one
CID 83858521
2,6-dimethyl-3-piperidin-3-ylpyrimidin-4-one
CID 126857734
3-(2,4-dimethyl-6-oxopyrimidin-1-yl)propanal
CID 63768681

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-3-(piperidin-4-ylmethyl)pyrimidin-4-one?
The IUPAC name of 2,6-dimethyl-3-(piperidin-4-ylmethyl)pyrimidin-4-one (CID 63768677) is 2,6-dimethyl-3-(piperidin-4-ylmethyl)pyrimidin-4-one.
What is the SMILES notation for 2,6-dimethyl-3-(piperidin-4-ylmethyl)pyrimidin-4-one?
The canonical SMILES for 2,6-dimethyl-3-(piperidin-4-ylmethyl)pyrimidin-4-one is Cc1cc(=O)n(CC2CCNCC2)c(C)n1.
What is the InChIKey of 2,6-dimethyl-3-(piperidin-4-ylmethyl)pyrimidin-4-one?
The InChIKey is BETWTUYGQNYIIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-9-7-12(16)15(10(2)14-9)8-11-3-5-13-6-4-11/h7,11,13H,3-6,8H2,1-2H3.
What are the key properties of 2,6-dimethyl-3-(piperidin-4-ylmethyl)pyrimidin-4-one?
2,6-dimethyl-3-(piperidin-4-ylmethyl)pyrimidin-4-one has a molecular weight of 221.30 g/mol, XLogP of 0.86, 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-4-ylmethyl)pyrimidin-4-one is sourced from PubChem (CID 63768677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).