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

C12H17N3O2S — CID 23611314

IUPAC2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-1-morpholin-4-ylethanone
SMILESCc1cc(SCC(=O)N2CCOCC2)nc(C)n1
InChIInChI=1S/C12H17N3O2S/c1-9-7-11(14-10(2)13-9)18-8-12(16)15-3-5-17-6-4-15/h7H,3-6,8H2,1-2H3
InChIKeyXUKZPFHUWODEPF-UHFFFAOYSA-N
MW267.35 g/mol
LogP1.04
Rot. Bonds3

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

2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-1-morpholin-4-ylethanone (PubChem CID 23611314) has the molecular formula C12H17N3O2S and a molecular weight of 267.35 g/mol. Its IUPAC name is 2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-1-morpholin-4-ylethanone
PubChem CID23611314
Molecular FormulaC12H17N3O2S
Molecular Weight267.35 g/mol
Exact Mass267.10
IUPAC Name2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-1-morpholin-4-ylethanone
SMILESCc1cc(SCC(=O)N2CCOCC2)nc(C)n1
InChIInChI=1S/C12H17N3O2S/c1-9-7-11(14-10(2)13-9)18-8-12(16)15-3-5-17-6-4-15/h7H,3-6,8H2,1-2H3
InChIKeyXUKZPFHUWODEPF-UHFFFAOYSA-N
XLogP1.04
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Methyl 2-{[4-methyl-6-(morpholin-4-YL)pyrimidin-2-YL]sulfanyl}acetate
CID 2147954
2-[(2,6-Dimethylpyrimidin-4-yl)sulfanyl]-1-(piperidin-1-yl)ethanone
CID 664892
Morpholine, 4,4'-(1,3-propanediylbis(thio(6-methyl-2,4-pyrimidinediyl)))bis-
CID 3078958
3-(4,6-Dimethylpyrimidin-2-yl)sulfanyl-1-morpholin-4-ylpropan-1-one
CID 975615
2-((4,6-Dimethylpyrimidin-2-yl)thio)-1-morpholinoethanone
CID 695461
Acetic acid, ((4-methyl-6-(4-morpholinyl)-2-pyrimidinyl)thio)-
CID 723195
Morpholine, 4-(6-methyl-2-((1-methylethyl)thio)-4-pyrimidinyl)-
CID 3074005
Morpholine, 4,4'-(1,4-butanediylbis(thio(6-methyl-2,4-pyrimidinediyl)))bis-
CID 3078955
Morpholine, 4,4'-(1,5-pentanediylbis(thio(6-methyl-2,4-pyrimidinediyl)))bis-
CID 3078956
2-{[4-Methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-1-(morpholin-4-yl)ethan-1-one
CID 16644560
N-(3-hydroxypropyl)-2-((4-methyl-6-morpholinopyrimidin-2-yl)thio)acetamide
CID 2141444
4-[6-Methyl-2-(thiolan-1-ium-1-yl)pyrimidin-4-yl]morpholine
CID 3157868

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-1-morpholin-4-ylethanone?
The IUPAC name of 2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-1-morpholin-4-ylethanone (CID 23611314) is 2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-1-morpholin-4-ylethanone?
The canonical SMILES for 2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-1-morpholin-4-ylethanone is Cc1cc(SCC(=O)N2CCOCC2)nc(C)n1.
What is the InChIKey of 2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-1-morpholin-4-ylethanone?
The InChIKey is XUKZPFHUWODEPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2S/c1-9-7-11(14-10(2)13-9)18-8-12(16)15-3-5-17-6-4-15/h7H,3-6,8H2,1-2H3.
What are the key properties of 2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-1-morpholin-4-ylethanone?
2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-1-morpholin-4-ylethanone has a molecular weight of 267.35 g/mol, XLogP of 1.04, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-1-morpholin-4-ylethanone is sourced from PubChem (CID 23611314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).