4-(3-ethylsulfonylthiomorpholin-4-yl)-N,6-dimethylpyrimidin-2-amine

C12H20N4O2S2 — CID 80851203

IUPAC4-(3-ethylsulfonylthiomorpholin-4-yl)-N,6-dimethylpyrimidin-2-amine
SMILESCCS(=O)(=O)C1CSCCN1c1cc(C)nc(NC)n1
InChIInChI=1S/C12H20N4O2S2/c1-4-20(17,18)11-8-19-6-5-16(11)10-7-9(2)14-12(13-3)15-10/h7,11H,4-6,8H2,1-3H3,(H,13,14,15)
InChIKeyJOYIXWVGQHTQDE-UHFFFAOYSA-N
MW316.45 g/mol
LogP1.14
Rot. Bonds4

About 4-(3-ethylsulfonylthiomorpholin-4-yl)-N,6-dimethylpyrimidin-2-amine

4-(3-ethylsulfonylthiomorpholin-4-yl)-N,6-dimethylpyrimidin-2-amine (PubChem CID 80851203) has the molecular formula C12H20N4O2S2 and a molecular weight of 316.45 g/mol. Its IUPAC name is 4-(3-ethylsulfonylthiomorpholin-4-yl)-N,6-dimethylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(3-ethylsulfonylthiomorpholin-4-yl)-N,6-dimethylpyrimidin-2-amine
PubChem CID80851203
Molecular FormulaC12H20N4O2S2
Molecular Weight316.45 g/mol
Exact Mass316.10
IUPAC Name4-(3-ethylsulfonylthiomorpholin-4-yl)-N,6-dimethylpyrimidin-2-amine
SMILESCCS(=O)(=O)C1CSCCN1c1cc(C)nc(NC)n1
InChIInChI=1S/C12H20N4O2S2/c1-4-20(17,18)11-8-19-6-5-16(11)10-7-9(2)14-12(13-3)15-10/h7,11H,4-6,8H2,1-3H3,(H,13,14,15)
InChIKeyJOYIXWVGQHTQDE-UHFFFAOYSA-N
XLogP1.14
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-(3-ethylsulfonylthiomorpholin-4-yl)-N,6-dimethylpyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(3-ethylsulfonylthiomorpholin-4-yl)-N-methyl-2-methylsulfanylpyrimidin-4-amine
CID 80833716
2-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]-N,6-dimethylpyrimidin-4-amine
CID 80657565
4-[3-(chloromethyl)-4,6-dimethyl-2-pyridinyl]-3-ethylsulfonylthiomorpholine
CID 66377521
4-methyl-6-(3-methylthiomorpholin-4-yl)-N-propylpyrimidin-2-amine
CID 80835884
4-(5-bromo-2-pyridinyl)-3-ethylsulfonylthiomorpholine
CID 66375651
4-(3,6-dichloro-1,2,4-triazin-5-yl)-3-ethylsulfonylthiomorpholine
CID 81035581
N-[[2-(3-ethylsulfonylthiomorpholin-4-yl)-4-pyridinyl]methyl]ethanamine
CID 66377729
4-(2-ethylazepan-1-yl)-N,6-dimethylpyrimidin-2-amine
CID 113442061
[2-(3-ethylsulfonylthiomorpholin-4-yl)-1,3-thiazol-4-yl]methanamine
CID 66375813
2-(3-ethylsulfonylthiomorpholin-4-yl)benzoic acid
CID 66377379
1-[5-(3-ethylsulfonylthiomorpholin-4-yl)-1,3-dimethylpyrazol-4-yl]-N-methylmethanamine
CID 66377902
[6-(3-ethylsulfonylthiomorpholin-4-yl)-5-methyl-3-pyridinyl]methanol
CID 80628626

Frequently Asked Questions

What is the IUPAC name of 4-(3-ethylsulfonylthiomorpholin-4-yl)-N,6-dimethylpyrimidin-2-amine?
The IUPAC name of 4-(3-ethylsulfonylthiomorpholin-4-yl)-N,6-dimethylpyrimidin-2-amine (CID 80851203) is 4-(3-ethylsulfonylthiomorpholin-4-yl)-N,6-dimethylpyrimidin-2-amine.
What is the SMILES notation for 4-(3-ethylsulfonylthiomorpholin-4-yl)-N,6-dimethylpyrimidin-2-amine?
The canonical SMILES for 4-(3-ethylsulfonylthiomorpholin-4-yl)-N,6-dimethylpyrimidin-2-amine is CCS(=O)(=O)C1CSCCN1c1cc(C)nc(NC)n1.
What is the InChIKey of 4-(3-ethylsulfonylthiomorpholin-4-yl)-N,6-dimethylpyrimidin-2-amine?
The InChIKey is JOYIXWVGQHTQDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2S2/c1-4-20(17,18)11-8-19-6-5-16(11)10-7-9(2)14-12(13-3)15-10/h7,11H,4-6,8H2,1-3H3,(H,13,14,15).
What are the key properties of 4-(3-ethylsulfonylthiomorpholin-4-yl)-N,6-dimethylpyrimidin-2-amine?
4-(3-ethylsulfonylthiomorpholin-4-yl)-N,6-dimethylpyrimidin-2-amine has a molecular weight of 316.45 g/mol, XLogP of 1.14, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethylsulfonylthiomorpholin-4-yl)-N,6-dimethylpyrimidin-2-amine is sourced from PubChem (CID 80851203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).