2-(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxy-1-piperidin-1-ylethanone

C13H19N3O2S — CID 6620932

IUPAC2-(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxy-1-piperidin-1-ylethanone
SMILESCSc1nc(C)cc(OCC(=O)N2CCCCC2)n1
InChIInChI=1S/C13H19N3O2S/c1-10-8-11(15-13(14-10)19-2)18-9-12(17)16-6-4-3-5-7-16/h8H,3-7,9H2,1-2H3
InChIKeyPJGDTNGJYXCXOU-UHFFFAOYSA-N
MW281.38 g/mol
LogP1.90
Rot. Bonds4

About 2-(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxy-1-piperidin-1-ylethanone

2-(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxy-1-piperidin-1-ylethanone (PubChem CID 6620932) has the molecular formula C13H19N3O2S and a molecular weight of 281.38 g/mol. Its IUPAC name is 2-(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxy-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxy-1-piperidin-1-ylethanone
PubChem CID6620932
Molecular FormulaC13H19N3O2S
Molecular Weight281.38 g/mol
Exact Mass281.12
IUPAC Name2-(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxy-1-piperidin-1-ylethanone
SMILESCSc1nc(C)cc(OCC(=O)N2CCCCC2)n1
InChIInChI=1S/C13H19N3O2S/c1-10-8-11(15-13(14-10)19-2)18-9-12(17)16-6-4-3-5-7-16/h8H,3-7,9H2,1-2H3
InChIKeyPJGDTNGJYXCXOU-UHFFFAOYSA-N
XLogP1.90
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(azepan-1-yl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanone
CID 56731932
2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-(azocan-1-yl)ethanone
CID 51073353
1-[6-methyl-2-(2-oxopropylsulfanyl)pyrimidin-4-yl]oxypropan-2-one
CID 12753455
4-methyl-2-methylsulfanyl-6-prop-2-ynoxypyrimidine
CID 155977784
(2-oxo-2-piperidin-1-ylethyl) 2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzoate
CID 7805114
2-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxy-1-pyrrolidin-1-ylethanone
CID 71799658
2-[[2-(2-aminoethyl)-6-methyl-3-pyridinyl]oxy]-1-(azepan-1-yl)ethanone
CID 79164469
1-(azepan-1-yl)-2-(3,5-dimethoxyphenoxy)ethanone
CID 112978566
ethyl 2-(4-ethoxy-6-methylpyrimidin-2-yl)sulfanylacetate
CID 4283909
2-(2,6-dimethyl-4-pyrrolidin-1-ylphenoxy)-1-pyrrolidin-1-ylethanone
CID 168515037
2-[[5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-piperidin-1-ylethanone
CID 1156557
2-[[5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-piperidin-1-ylethanone
CID 3167551

Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxy-1-piperidin-1-ylethanone?
The IUPAC name of 2-(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxy-1-piperidin-1-ylethanone (CID 6620932) is 2-(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxy-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxy-1-piperidin-1-ylethanone?
The canonical SMILES for 2-(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxy-1-piperidin-1-ylethanone is CSc1nc(C)cc(OCC(=O)N2CCCCC2)n1.
What is the InChIKey of 2-(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxy-1-piperidin-1-ylethanone?
The InChIKey is PJGDTNGJYXCXOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2S/c1-10-8-11(15-13(14-10)19-2)18-9-12(17)16-6-4-3-5-7-16/h8H,3-7,9H2,1-2H3.
What are the key properties of 2-(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxy-1-piperidin-1-ylethanone?
2-(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxy-1-piperidin-1-ylethanone has a molecular weight of 281.38 g/mol, XLogP of 1.90, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxy-1-piperidin-1-ylethanone is sourced from PubChem (CID 6620932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).