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

C12H20N4O — CID 84699558

IUPAC2-(2-aminoethyl)-3-methyl-6-piperidin-1-ylpyrimidin-4-one
SMILESCn1c(CCN)nc(N2CCCCC2)cc1=O
InChIInChI=1S/C12H20N4O/c1-15-10(5-6-13)14-11(9-12(15)17)16-7-3-2-4-8-16/h9H,2-8,13H2,1H3
InChIKeyKXVUPIQHGQALJD-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.27
Rot. Bonds3

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

2-(2-aminoethyl)-3-methyl-6-piperidin-1-ylpyrimidin-4-one (PubChem CID 84699558) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 2-(2-aminoethyl)-3-methyl-6-piperidin-1-ylpyrimidin-4-one.

Molecular Properties

Compound Name2-(2-aminoethyl)-3-methyl-6-piperidin-1-ylpyrimidin-4-one
PubChem CID84699558
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name2-(2-aminoethyl)-3-methyl-6-piperidin-1-ylpyrimidin-4-one
SMILESCn1c(CCN)nc(N2CCCCC2)cc1=O
InChIInChI=1S/C12H20N4O/c1-15-10(5-6-13)14-11(9-12(15)17)16-7-3-2-4-8-16/h9H,2-8,13H2,1H3
InChIKeyKXVUPIQHGQALJD-UHFFFAOYSA-N
XLogP0.27
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,3-Dimethyl-6-piperidin-1-ylpyrimidin-4-one
CID 67744616
2-Amino-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 83873338
1-[4-[(6-Methyl-1,2-dihydropyrimidin-4-yl)amino]piperidin-1-yl]ethanone
CID 118929981
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
N-(4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-2-yl)acetamide
CID 175761646
2-Amino-3-ethyl-6-piperidin-1-ylpyrimidin-4-one
CID 12502633
2-Amino-3-butyl-6-piperidin-1-ylpyrimidin-4-one
CID 12502635
N-[2-(4,6-dihydroxy-2-pyrimidinyl)ethyl]-4-(1-piperidinyl)butanamide
CID 72914259
2-(2-Aminoethyl)-6-(dimethylamino)-3-methylpyrimidin-4-one
CID 84667045
2-Amino-3-methyl-6-piperidin-1-ylpyrimidin-4-one
CID 84676232
2-(2-Aminoethyl)-3-methyl-6-pyrrolidin-1-ylpyrimidin-4-one
CID 84687779

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-3-methyl-6-piperidin-1-ylpyrimidin-4-one?
The IUPAC name of 2-(2-aminoethyl)-3-methyl-6-piperidin-1-ylpyrimidin-4-one (CID 84699558) is 2-(2-aminoethyl)-3-methyl-6-piperidin-1-ylpyrimidin-4-one.
What is the SMILES notation for 2-(2-aminoethyl)-3-methyl-6-piperidin-1-ylpyrimidin-4-one?
The canonical SMILES for 2-(2-aminoethyl)-3-methyl-6-piperidin-1-ylpyrimidin-4-one is Cn1c(CCN)nc(N2CCCCC2)cc1=O.
What is the InChIKey of 2-(2-aminoethyl)-3-methyl-6-piperidin-1-ylpyrimidin-4-one?
The InChIKey is KXVUPIQHGQALJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-15-10(5-6-13)14-11(9-12(15)17)16-7-3-2-4-8-16/h9H,2-8,13H2,1H3.
What are the key properties of 2-(2-aminoethyl)-3-methyl-6-piperidin-1-ylpyrimidin-4-one?
2-(2-aminoethyl)-3-methyl-6-piperidin-1-ylpyrimidin-4-one has a molecular weight of 236.32 g/mol, XLogP of 0.27, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-3-methyl-6-piperidin-1-ylpyrimidin-4-one is sourced from PubChem (CID 84699558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).