4-(3-bromo-5-methyl-2-pyridinyl)-2,6-dimethylthiomorpholine

C12H17BrN2S — CID 105367957

IUPAC4-(3-bromo-5-methyl-2-pyridinyl)-2,6-dimethylthiomorpholine
SMILESCc1cnc(N2CC(C)SC(C)C2)c(Br)c1
InChIInChI=1S/C12H17BrN2S/c1-8-4-11(13)12(14-5-8)15-6-9(2)16-10(3)7-15/h4-5,9-10H,6-7H2,1-3H3
InChIKeyVTDZORPGZCFYOC-UHFFFAOYSA-N
MW301.25 g/mol
LogP3.48
Rot. Bonds1

About 4-(3-bromo-5-methyl-2-pyridinyl)-2,6-dimethylthiomorpholine

4-(3-bromo-5-methyl-2-pyridinyl)-2,6-dimethylthiomorpholine (PubChem CID 105367957) has the molecular formula C12H17BrN2S and a molecular weight of 301.25 g/mol. Its IUPAC name is 4-(3-bromo-5-methyl-2-pyridinyl)-2,6-dimethylthiomorpholine.

Molecular Properties

Compound Name4-(3-bromo-5-methyl-2-pyridinyl)-2,6-dimethylthiomorpholine
PubChem CID105367957
Molecular FormulaC12H17BrN2S
Molecular Weight301.25 g/mol
Exact Mass300.03
IUPAC Name4-(3-bromo-5-methyl-2-pyridinyl)-2,6-dimethylthiomorpholine
SMILESCc1cnc(N2CC(C)SC(C)C2)c(Br)c1
InChIInChI=1S/C12H17BrN2S/c1-8-4-11(13)12(14-5-8)15-6-9(2)16-10(3)7-15/h4-5,9-10H,6-7H2,1-3H3
InChIKeyVTDZORPGZCFYOC-UHFFFAOYSA-N
XLogP3.48
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.25
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-bromo-5-chloro-2-pyridinyl)-2,6-dimethylthiomorpholine
CID 114837132
3-bromo-2-(3,5-dimethylpiperidin-1-yl)-5-methylpyridine
CID 105367629
4-(3-bromo-5-methyl-2-pyridinyl)-1,2,6-trimethylpiperazine
CID 105368114
1-(3-bromo-5-methyl-2-pyridinyl)-4-methylpyrrolidin-3-ol
CID 131165420
[1-(3-bromo-5-methyl-2-pyridinyl)azetidin-3-yl]methanol
CID 105367527
(3R)-1-(3-bromo-5-methyl-2-pyridinyl)-3-methylpiperazine
CID 96944499
3-bromo-2-(3-bromopyrrolidin-1-yl)-5-methylpyridine
CID 105368742
2-(bromomethyl)-4-(3-bromo-5-methyl-2-pyridinyl)-6-methylmorpholine
CID 102937171
4-(3-bromo-5-methyl-2-pyridinyl)-2-methyl-1,4-oxazepane
CID 105367904
1-(3-bromo-5-methyl-2-pyridinyl)-4-cyclopropylpiperazine
CID 105367783
1-(3-bromo-5-methyl-2-pyridinyl)-N,N-diethylpyrrolidin-3-amine
CID 105367921
[4-(3-bromo-5-methyl-2-pyridinyl)morpholin-2-yl]methanol
CID 105367532

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromo-5-methyl-2-pyridinyl)-2,6-dimethylthiomorpholine?
The IUPAC name of 4-(3-bromo-5-methyl-2-pyridinyl)-2,6-dimethylthiomorpholine (CID 105367957) is 4-(3-bromo-5-methyl-2-pyridinyl)-2,6-dimethylthiomorpholine.
What is the SMILES notation for 4-(3-bromo-5-methyl-2-pyridinyl)-2,6-dimethylthiomorpholine?
The canonical SMILES for 4-(3-bromo-5-methyl-2-pyridinyl)-2,6-dimethylthiomorpholine is Cc1cnc(N2CC(C)SC(C)C2)c(Br)c1.
What is the InChIKey of 4-(3-bromo-5-methyl-2-pyridinyl)-2,6-dimethylthiomorpholine?
The InChIKey is VTDZORPGZCFYOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2S/c1-8-4-11(13)12(14-5-8)15-6-9(2)16-10(3)7-15/h4-5,9-10H,6-7H2,1-3H3.
What are the key properties of 4-(3-bromo-5-methyl-2-pyridinyl)-2,6-dimethylthiomorpholine?
4-(3-bromo-5-methyl-2-pyridinyl)-2,6-dimethylthiomorpholine has a molecular weight of 301.25 g/mol, XLogP of 3.48, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromo-5-methyl-2-pyridinyl)-2,6-dimethylthiomorpholine is sourced from PubChem (CID 105367957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).