2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-piperidin-1-ylethanone

C13H19N3OS — CID 742074

IUPAC2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-piperidin-1-ylethanone
SMILESCc1cc(C)nc(SCC(=O)N2CCCCC2)n1
InChIInChI=1S/C13H19N3OS/c1-10-8-11(2)15-13(14-10)18-9-12(17)16-6-4-3-5-7-16/h8H,3-7,9H2,1-2H3
InChIKeyAPLVJLISYMZAIG-UHFFFAOYSA-N
MW265.38 g/mol
LogP2.20
Rot. Bonds3

About 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-piperidin-1-ylethanone

2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-piperidin-1-ylethanone (PubChem CID 742074) has the molecular formula C13H19N3OS and a molecular weight of 265.38 g/mol. Its IUPAC name is 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-piperidin-1-ylethanone
PubChem CID742074
Molecular FormulaC13H19N3OS
Molecular Weight265.38 g/mol
Exact Mass265.12
IUPAC Name2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-piperidin-1-ylethanone
SMILESCc1cc(C)nc(SCC(=O)N2CCCCC2)n1
InChIInChI=1S/C13H19N3OS/c1-10-8-11(2)15-13(14-10)18-9-12(17)16-6-4-3-5-7-16/h8H,3-7,9H2,1-2H3
InChIKeyAPLVJLISYMZAIG-UHFFFAOYSA-N
XLogP2.20
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4,6-dimethyl-2-pyrimidinyl)sulfanyl]-N-ethylpropanamide
CID 6483849
2-(4-Amino-6-methylpyrimidin-2-yl)sulfanyl-1-(2,6-dimethylpiperidin-1-yl)ethanone
CID 4430216
2-[(2,6-Dimethylpyrimidin-4-yl)sulfanyl]-1-(piperidin-1-yl)ethanone
CID 664892
2-(4,6-Dimethylpyrimidin-2-yl)sulfanylacetamide
CID 840853
3-[(4,6-dimethyl-2-pyrimidinyl)thio]-N,N-dimethylpropanamide
CID 653464
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N,N-diethylacetamide
CID 695459
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N,N-dimethylacetamide
CID 975959
2-(4,6-dimethylpyrimidin-2-ylthio)-N-cyclopentylacetamide
CID 2772852
N-Cyclohexyl-2-(4-methyl-6-trifluoromethyl-pyrimidin-2-ylsulfanyl)-acetamide
CID 2979066
2-[(5,7-Dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-1-(2-methylpiperidin-1-yl)ethanone
CID 3974401
2-(4,6-Dimethylpyrimidin-2-yl)sulfanyl-1-(2-ethylpiperidin-1-yl)ethanone
CID 4335113
N-[3-(diethylamino)propyl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
CID 2496710

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-piperidin-1-ylethanone?
The IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-piperidin-1-ylethanone (CID 742074) is 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-piperidin-1-ylethanone?
The canonical SMILES for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-piperidin-1-ylethanone is Cc1cc(C)nc(SCC(=O)N2CCCCC2)n1.
What is the InChIKey of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-piperidin-1-ylethanone?
The InChIKey is APLVJLISYMZAIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3OS/c1-10-8-11(2)15-13(14-10)18-9-12(17)16-6-4-3-5-7-16/h8H,3-7,9H2,1-2H3.
What are the key properties of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-piperidin-1-ylethanone?
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-piperidin-1-ylethanone has a molecular weight of 265.38 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-piperidin-1-ylethanone is sourced from PubChem (CID 742074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).