2-(1-aminoethyl)-3-methyl-6-piperidin-1-ylpyrimidin-4-one

C12H20N4O — CID 84699557

IUPAC2-(1-aminoethyl)-3-methyl-6-piperidin-1-ylpyrimidin-4-one
SMILESCC(N)c1nc(N2CCCCC2)cc(=O)n1C
InChIInChI=1S/C12H20N4O/c1-9(13)12-14-10(8-11(17)15(12)2)16-6-4-3-5-7-16/h8-9H,3-7,13H2,1-2H3
InChIKeyHWYCHMDTNDWZPG-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.79
Rot. Bonds2

About 2-(1-aminoethyl)-3-methyl-6-piperidin-1-ylpyrimidin-4-one

2-(1-aminoethyl)-3-methyl-6-piperidin-1-ylpyrimidin-4-one (PubChem CID 84699557) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 2-(1-aminoethyl)-3-methyl-6-piperidin-1-ylpyrimidin-4-one.

Molecular Properties

Compound Name2-(1-aminoethyl)-3-methyl-6-piperidin-1-ylpyrimidin-4-one
PubChem CID84699557
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name2-(1-aminoethyl)-3-methyl-6-piperidin-1-ylpyrimidin-4-one
SMILESCC(N)c1nc(N2CCCCC2)cc(=O)n1C
InChIInChI=1S/C12H20N4O/c1-9(13)12-14-10(8-11(17)15(12)2)16-6-4-3-5-7-16/h8-9H,3-7,13H2,1-2H3
InChIKeyHWYCHMDTNDWZPG-UHFFFAOYSA-N
XLogP0.79
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(3-Aminopiperidin-1-yl)-3,4-dihydropyrimidin-4-one dihydrochloride
CID 139026488
2-(1-piperazin-1-ylbutyl)-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136171498
2,3-Dimethyl-6-piperidin-1-ylpyrimidin-4-one
CID 67744616
1-[4-[(6-Methyl-1,2-dihydropyrimidin-4-yl)amino]piperidin-1-yl]ethanone
CID 118929981
4-(piperidin-3-ylamino)-1H-pyrimidin-6-one
CID 136978103
4-Hydroxy-2-methyl-6-(piperidin-1-yl)pyrimidine
CID 137000217
2-(methylamino)-N-(4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-2-yl)acetamide
CID 164573864
CID 170701542
CID 170701542
2-(4-Methylpiperazin-1-yl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 14956503
4-hydroxy-2-(1-piperazin-1-ylpropyl)-1H-pyrimidin-6-one
CID 55221568
4-hydroxy-2-(1-piperazin-1-ylbutyl)-1H-pyrimidin-6-one
CID 55221569
2-(1-piperazin-1-ylethyl)-1H-pyrimidin-6-one
CID 63362941

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminoethyl)-3-methyl-6-piperidin-1-ylpyrimidin-4-one?
The IUPAC name of 2-(1-aminoethyl)-3-methyl-6-piperidin-1-ylpyrimidin-4-one (CID 84699557) is 2-(1-aminoethyl)-3-methyl-6-piperidin-1-ylpyrimidin-4-one.
What is the SMILES notation for 2-(1-aminoethyl)-3-methyl-6-piperidin-1-ylpyrimidin-4-one?
The canonical SMILES for 2-(1-aminoethyl)-3-methyl-6-piperidin-1-ylpyrimidin-4-one is CC(N)c1nc(N2CCCCC2)cc(=O)n1C.
What is the InChIKey of 2-(1-aminoethyl)-3-methyl-6-piperidin-1-ylpyrimidin-4-one?
The InChIKey is HWYCHMDTNDWZPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-9(13)12-14-10(8-11(17)15(12)2)16-6-4-3-5-7-16/h8-9H,3-7,13H2,1-2H3.
What are the key properties of 2-(1-aminoethyl)-3-methyl-6-piperidin-1-ylpyrimidin-4-one?
2-(1-aminoethyl)-3-methyl-6-piperidin-1-ylpyrimidin-4-one has a molecular weight of 236.32 g/mol, XLogP of 0.79, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminoethyl)-3-methyl-6-piperidin-1-ylpyrimidin-4-one is sourced from PubChem (CID 84699557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).