6-(3-ethylsulfonylthiomorpholin-4-yl)-5-methylpyrimidin-4-amine

C11H18N4O2S2 — CID 80851039

IUPAC6-(3-ethylsulfonylthiomorpholin-4-yl)-5-methylpyrimidin-4-amine
SMILESCCS(=O)(=O)C1CSCCN1c1ncnc(N)c1C
InChIInChI=1S/C11H18N4O2S2/c1-3-19(16,17)9-6-18-5-4-15(9)11-8(2)10(12)13-7-14-11/h7,9H,3-6H2,1-2H3,(H2,12,13,14)
InChIKeyOZWYOIIHIGNMBV-UHFFFAOYSA-N
MW302.43 g/mol
LogP0.68
Rot. Bonds3

About 6-(3-ethylsulfonylthiomorpholin-4-yl)-5-methylpyrimidin-4-amine

6-(3-ethylsulfonylthiomorpholin-4-yl)-5-methylpyrimidin-4-amine (PubChem CID 80851039) has the molecular formula C11H18N4O2S2 and a molecular weight of 302.43 g/mol. Its IUPAC name is 6-(3-ethylsulfonylthiomorpholin-4-yl)-5-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(3-ethylsulfonylthiomorpholin-4-yl)-5-methylpyrimidin-4-amine
PubChem CID80851039
Molecular FormulaC11H18N4O2S2
Molecular Weight302.43 g/mol
Exact Mass302.09
IUPAC Name6-(3-ethylsulfonylthiomorpholin-4-yl)-5-methylpyrimidin-4-amine
SMILESCCS(=O)(=O)C1CSCCN1c1ncnc(N)c1C
InChIInChI=1S/C11H18N4O2S2/c1-3-19(16,17)9-6-18-5-4-15(9)11-8(2)10(12)13-7-14-11/h7,9H,3-6H2,1-2H3,(H2,12,13,14)
InChIKeyOZWYOIIHIGNMBV-UHFFFAOYSA-N
XLogP0.68
TPSA89.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.43
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-ethylsulfonyl-4-(5-iodopyrimidin-4-yl)thiomorpholine
CID 66376036
[2-(3-ethylsulfonylthiomorpholin-4-yl)-3-pyridinyl]methanol
CID 66376741
[6-(3-ethylsulfonylthiomorpholin-4-yl)-5-methyl-3-pyridinyl]methanol
CID 80628626
4-(3-methylsulfonylthiomorpholin-4-yl)pyrimidin-5-amine
CID 79915838
2-(3-ethylsulfonylthiomorpholin-4-yl)aniline
CID 66383708
5-(3-ethylsulfonylthiomorpholin-4-yl)-1,3-dimethylpyrazol-4-amine
CID 66383904
4-(5-bromo-2-pyridinyl)-3-ethylsulfonylthiomorpholine
CID 66375651
6-(3-ethylsulfonylthiomorpholin-4-yl)pyridine-3-carbonitrile
CID 66377758
(1R)-1-[2-(3-ethylsulfonylthiomorpholin-4-yl)phenyl]ethanamine
CID 66376534
4-[3-(chloromethyl)-4,6-dimethyl-2-pyridinyl]-3-ethylsulfonylthiomorpholine
CID 66377521
4-(3,6-dichloro-1,2,4-triazin-5-yl)-3-ethylsulfonylthiomorpholine
CID 81035581
5-bromo-2-(3-ethylsulfonylthiomorpholin-4-yl)pyridine-3-carboxylic acid
CID 66377186

Frequently Asked Questions

What is the IUPAC name of 6-(3-ethylsulfonylthiomorpholin-4-yl)-5-methylpyrimidin-4-amine?
The IUPAC name of 6-(3-ethylsulfonylthiomorpholin-4-yl)-5-methylpyrimidin-4-amine (CID 80851039) is 6-(3-ethylsulfonylthiomorpholin-4-yl)-5-methylpyrimidin-4-amine.
What is the SMILES notation for 6-(3-ethylsulfonylthiomorpholin-4-yl)-5-methylpyrimidin-4-amine?
The canonical SMILES for 6-(3-ethylsulfonylthiomorpholin-4-yl)-5-methylpyrimidin-4-amine is CCS(=O)(=O)C1CSCCN1c1ncnc(N)c1C.
What is the InChIKey of 6-(3-ethylsulfonylthiomorpholin-4-yl)-5-methylpyrimidin-4-amine?
The InChIKey is OZWYOIIHIGNMBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2S2/c1-3-19(16,17)9-6-18-5-4-15(9)11-8(2)10(12)13-7-14-11/h7,9H,3-6H2,1-2H3,(H2,12,13,14).
What are the key properties of 6-(3-ethylsulfonylthiomorpholin-4-yl)-5-methylpyrimidin-4-amine?
6-(3-ethylsulfonylthiomorpholin-4-yl)-5-methylpyrimidin-4-amine has a molecular weight of 302.43 g/mol, XLogP of 0.68, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-ethylsulfonylthiomorpholin-4-yl)-5-methylpyrimidin-4-amine is sourced from PubChem (CID 80851039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).