1-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-3-yl]ethanone

C13H19N3O — CID 63846335

IUPAC1-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-3-yl]ethanone
SMILESCC(=O)C1CCCN(c2cc(C)nc(C)n2)C1
InChIInChI=1S/C13H19N3O/c1-9-7-13(15-11(3)14-9)16-6-4-5-12(8-16)10(2)17/h7,12H,4-6,8H2,1-3H3
InChIKeyCHOBSNONLPHJKP-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.90
Rot. Bonds2

About 1-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-3-yl]ethanone

1-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-3-yl]ethanone (PubChem CID 63846335) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-3-yl]ethanone.

Molecular Properties

Compound Name1-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-3-yl]ethanone
PubChem CID63846335
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name1-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-3-yl]ethanone
SMILESCC(=O)C1CCCN(c2cc(C)nc(C)n2)C1
InChIInChI=1S/C13H19N3O/c1-9-7-13(15-11(3)14-9)16-6-4-5-12(8-16)10(2)17/h7,12H,4-6,8H2,1-3H3
InChIKeyCHOBSNONLPHJKP-UHFFFAOYSA-N
XLogP1.90
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(6-methylpyrimidin-4-yl)piperidin-3-yl]ethanone
CID 63846340
1-(6-chloro-2-methylpyrimidin-4-yl)piperidine-3-carboxylic acid
CID 121204774
1-(2,6-dimethylpyrimidin-4-yl)-N-methylpiperidin-3-amine
CID 62547071
1-(2-methoxy-6-methylpyrimidin-4-yl)piperidine-3-carboxylic acid
CID 122051160
2-(3-acetylpiperidin-1-yl)-6-methylpyrimidine-4-carbonitrile
CID 107548775
1-[6-(methoxymethyl)-2-methylpyrimidin-4-yl]piperidine-3-carboxylic acid
CID 110277709
4-[3-(2-chloroethyl)piperidin-1-yl]-2,6-dimethylpyrimidine
CID 55185138
1-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)piperidine-3-carboxylic acid
CID 56767515
[(3S)-1-(2,6-dimethylpyrimidin-4-yl)piperidin-3-yl] 3,6-dihydro-2H-pyran-4-carboxylate
CID 99785004
1-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-3-yl]-N-methylethanamine
CID 63852838
2-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-3-yl]-4-methyl-1,3-thiazole
CID 133328206
(3R)-1-[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]piperidine-3-carboxylic acid
CID 99975862

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-3-yl]ethanone?
The IUPAC name of 1-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-3-yl]ethanone (CID 63846335) is 1-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-3-yl]ethanone.
What is the SMILES notation for 1-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-3-yl]ethanone?
The canonical SMILES for 1-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-3-yl]ethanone is CC(=O)C1CCCN(c2cc(C)nc(C)n2)C1.
What is the InChIKey of 1-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-3-yl]ethanone?
The InChIKey is CHOBSNONLPHJKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-9-7-13(15-11(3)14-9)16-6-4-5-12(8-16)10(2)17/h7,12H,4-6,8H2,1-3H3.
What are the key properties of 1-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-3-yl]ethanone?
1-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-3-yl]ethanone has a molecular weight of 233.31 g/mol, XLogP of 1.90, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-3-yl]ethanone is sourced from PubChem (CID 63846335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).