4-[6-(4,6-dimethylpyrimidin-2-yl)sulfanylhexyl]morpholine

C16H27N3OS — CID 3021602

IUPAC4-[6-(4,6-dimethylpyrimidin-2-yl)sulfanylhexyl]morpholine
SMILESCc1cc(C)nc(SCCCCCCN2CCOCC2)n1
InChIInChI=1S/C16H27N3OS/c1-14-13-15(2)18-16(17-14)21-12-6-4-3-5-7-19-8-10-20-11-9-19/h13H,3-12H2,1-2H3
InChIKeyBCWRLCACOVFLOC-UHFFFAOYSA-N
MW309.48 g/mol
LogP3.08
Rot. Bonds8

About 4-[6-(4,6-dimethylpyrimidin-2-yl)sulfanylhexyl]morpholine

4-[6-(4,6-dimethylpyrimidin-2-yl)sulfanylhexyl]morpholine (PubChem CID 3021602) has the molecular formula C16H27N3OS and a molecular weight of 309.48 g/mol. Its IUPAC name is 4-[6-(4,6-dimethylpyrimidin-2-yl)sulfanylhexyl]morpholine.

Molecular Properties

Compound Name4-[6-(4,6-dimethylpyrimidin-2-yl)sulfanylhexyl]morpholine
PubChem CID3021602
Molecular FormulaC16H27N3OS
Molecular Weight309.48 g/mol
Exact Mass309.19
IUPAC Name4-[6-(4,6-dimethylpyrimidin-2-yl)sulfanylhexyl]morpholine
SMILESCc1cc(C)nc(SCCCCCCN2CCOCC2)n1
InChIInChI=1S/C16H27N3OS/c1-14-13-15(2)18-16(17-14)21-12-6-4-3-5-7-19-8-10-20-11-9-19/h13H,3-12H2,1-2H3
InChIKeyBCWRLCACOVFLOC-UHFFFAOYSA-N
XLogP3.08
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.48
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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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
2-(4,6-Dimethylpyrimidin-2-yl)sulfanyl-1-(2-ethylpiperidin-1-yl)ethanone
CID 4335113
4-{2-[(4,6-Dimethyl-2-pyrimidinyl)thio]ethyl}morpholine hydrochloride
CID 2843233
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
Ammonium, (5-((4,6-dimethyl-2-pyrimidinyl)thio)pentyl)triethyl-, bromide
CID 56037
Pyrimidine, 4,6-dimethyl-2-((6-piperidinohexyl)thio)-
CID 3021601
Morpholine, 4-(6-methyl-2-((1-methylethyl)thio)-4-pyrimidinyl)-
CID 3074005
{2-[(4,6-Dimethyl-2-pyrimidinyl)thio]ethyl}dimethylamine succinate
CID 747180

Frequently Asked Questions

What is the IUPAC name of 4-[6-(4,6-dimethylpyrimidin-2-yl)sulfanylhexyl]morpholine?
The IUPAC name of 4-[6-(4,6-dimethylpyrimidin-2-yl)sulfanylhexyl]morpholine (CID 3021602) is 4-[6-(4,6-dimethylpyrimidin-2-yl)sulfanylhexyl]morpholine.
What is the SMILES notation for 4-[6-(4,6-dimethylpyrimidin-2-yl)sulfanylhexyl]morpholine?
The canonical SMILES for 4-[6-(4,6-dimethylpyrimidin-2-yl)sulfanylhexyl]morpholine is Cc1cc(C)nc(SCCCCCCN2CCOCC2)n1.
What is the InChIKey of 4-[6-(4,6-dimethylpyrimidin-2-yl)sulfanylhexyl]morpholine?
The InChIKey is BCWRLCACOVFLOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3OS/c1-14-13-15(2)18-16(17-14)21-12-6-4-3-5-7-19-8-10-20-11-9-19/h13H,3-12H2,1-2H3.
What are the key properties of 4-[6-(4,6-dimethylpyrimidin-2-yl)sulfanylhexyl]morpholine?
4-[6-(4,6-dimethylpyrimidin-2-yl)sulfanylhexyl]morpholine has a molecular weight of 309.48 g/mol, XLogP of 3.08, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(4,6-dimethylpyrimidin-2-yl)sulfanylhexyl]morpholine is sourced from PubChem (CID 3021602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).