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

C13H21N3O — CID 63769022

IUPAC2,6-dimethyl-3-(2-piperidin-3-ylethyl)pyrimidin-4-one
SMILESCc1cc(=O)n(CCC2CCCNC2)c(C)n1
InChIInChI=1S/C13H21N3O/c1-10-8-13(17)16(11(2)15-10)7-5-12-4-3-6-14-9-12/h8,12,14H,3-7,9H2,1-2H3
InChIKeySKUAWGFEENTAGK-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.25
Rot. Bonds3

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

2,6-dimethyl-3-(2-piperidin-3-ylethyl)pyrimidin-4-one (PubChem CID 63769022) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 2,6-dimethyl-3-(2-piperidin-3-ylethyl)pyrimidin-4-one.

Molecular Properties

Compound Name2,6-dimethyl-3-(2-piperidin-3-ylethyl)pyrimidin-4-one
PubChem CID63769022
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name2,6-dimethyl-3-(2-piperidin-3-ylethyl)pyrimidin-4-one
SMILESCc1cc(=O)n(CCC2CCCNC2)c(C)n1
InChIInChI=1S/C13H21N3O/c1-10-8-13(17)16(11(2)15-10)7-5-12-4-3-6-14-9-12/h8,12,14H,3-7,9H2,1-2H3
InChIKeySKUAWGFEENTAGK-UHFFFAOYSA-N
XLogP1.25
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 ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Methyl-6-(piperidinomethyl)-4-pyrimidinol
CID 135472863
2-Isopropyl-6-(piperidinomethyl)-4-pyrimidinol
CID 135472879
4-methyl-2-piperidin-3-yl-1H-pyrimidin-6-one
CID 136103141
2-isopropyl-6-[(2-methylpiperidino)methyl]-4(3H)-pyrimidinone
CID 136046574
2-isopropyl-6-[(4-methylpiperidino)methyl]-4(3H)-pyrimidinone
CID 136046576
2-[(3,5-Dimethylpiperidino)methyl]-6-methyl-4-pyrimidinol
CID 135485286
2-[[(2S)-2-ethylpiperidin-1-yl]methyl]-4-methyl-1H-pyrimidin-6-one
CID 136896441
4-methyl-2-piperidin-3-yl-1H-pyrimidin-6-one;hydrochloride
CID 137014964
N-[3-methyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)butyl]acetamide
CID 137301598
4-(difluoromethyl)-2-piperidin-4-yl-1H-pyrimidin-6-one
CID 136103165
2-(piperidin-3-ylmethyl)-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136313372
2-Methyl-6-(piperidin-4-yl)pyrimidin-4-ol
CID 135876445

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-3-(2-piperidin-3-ylethyl)pyrimidin-4-one?
The IUPAC name of 2,6-dimethyl-3-(2-piperidin-3-ylethyl)pyrimidin-4-one (CID 63769022) is 2,6-dimethyl-3-(2-piperidin-3-ylethyl)pyrimidin-4-one.
What is the SMILES notation for 2,6-dimethyl-3-(2-piperidin-3-ylethyl)pyrimidin-4-one?
The canonical SMILES for 2,6-dimethyl-3-(2-piperidin-3-ylethyl)pyrimidin-4-one is Cc1cc(=O)n(CCC2CCCNC2)c(C)n1.
What is the InChIKey of 2,6-dimethyl-3-(2-piperidin-3-ylethyl)pyrimidin-4-one?
The InChIKey is SKUAWGFEENTAGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-10-8-13(17)16(11(2)15-10)7-5-12-4-3-6-14-9-12/h8,12,14H,3-7,9H2,1-2H3.
What are the key properties of 2,6-dimethyl-3-(2-piperidin-3-ylethyl)pyrimidin-4-one?
2,6-dimethyl-3-(2-piperidin-3-ylethyl)pyrimidin-4-one has a molecular weight of 235.33 g/mol, XLogP of 1.25, 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-3-ylethyl)pyrimidin-4-one is sourced from PubChem (CID 63769022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).