4-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethyl]morpholine;hydrochloride

C12H20ClN3OS — CID 2843233

IUPAC4-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethyl]morpholine;hydrochloride
SMILESCc1cc(C)nc(SCCN2CCOCC2)n1.Cl
InChIInChI=1S/C12H19N3OS.ClH/c1-10-9-11(2)14-12(13-10)17-8-5-15-3-6-16-7-4-15;/h9H,3-8H2,1-2H3;1H
InChIKeyKMOJFWTZCAYLMG-UHFFFAOYSA-N
MW289.83 g/mol
LogP1.94
Rot. Bonds4

About 4-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethyl]morpholine;hydrochloride

4-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethyl]morpholine;hydrochloride (PubChem CID 2843233) has the molecular formula C12H20ClN3OS and a molecular weight of 289.83 g/mol. Its IUPAC name is 4-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethyl]morpholine;hydrochloride.

Molecular Properties

Compound Name4-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethyl]morpholine;hydrochloride
PubChem CID2843233
Molecular FormulaC12H20ClN3OS
Molecular Weight289.83 g/mol
Exact Mass289.10
IUPAC Name4-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethyl]morpholine;hydrochloride
SMILESCc1cc(C)nc(SCCN2CCOCC2)n1.Cl
InChIInChI=1S/C12H19N3OS.ClH/c1-10-9-11(2)14-12(13-10)17-8-5-15-3-6-16-7-4-15;/h9H,3-8H2,1-2H3;1H
InChIKeyKMOJFWTZCAYLMG-UHFFFAOYSA-N
XLogP1.94
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.83
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4,6-Dimethylpyrimidin-2-yl)morpholine
CID 676802
Methyl 2-{[4-methyl-6-(morpholin-4-YL)pyrimidin-2-YL]sulfanyl}acetate
CID 2147954
(4,6-Dimethylpyrimidin-2-ylsulfanyl)acetic acid ethyl ester
CID 2179971
2-(4,6-Dimethylpyrimidin-2-yl)sulfanylethanol
CID 587836
4,6-dimethyl-N-(3-morpholin-4-ylpropyl)pyrimidin-2-amine
CID 1646798
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N,N-diethylacetamide
CID 695459
2-(4,6-Dimethylpyrimidin-2-yl)sulfanyl-1-(2-ethylpiperidin-1-yl)ethanone
CID 4335113
2-(4,6-Dimethylpyrimidin-2-ylthio)-1-piperidylethan-1-one
CID 742074
4,6-Dimethyl-2-[(2-piperidin-1-ylethyl)thio]pyrimidine
CID 779100
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

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethyl]morpholine;hydrochloride?
The IUPAC name of 4-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethyl]morpholine;hydrochloride (CID 2843233) is 4-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethyl]morpholine;hydrochloride.
What is the SMILES notation for 4-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethyl]morpholine;hydrochloride?
The canonical SMILES for 4-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethyl]morpholine;hydrochloride is Cc1cc(C)nc(SCCN2CCOCC2)n1.Cl.
What is the InChIKey of 4-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethyl]morpholine;hydrochloride?
The InChIKey is KMOJFWTZCAYLMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS.ClH/c1-10-9-11(2)14-12(13-10)17-8-5-15-3-6-16-7-4-15;/h9H,3-8H2,1-2H3;1H.
What are the key properties of 4-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethyl]morpholine;hydrochloride?
4-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethyl]morpholine;hydrochloride has a molecular weight of 289.83 g/mol, XLogP of 1.94, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethyl]morpholine;hydrochloride is sourced from PubChem (CID 2843233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).