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

C13H22N4O2S2 — CID 80657565

IUPAC2-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]-N,6-dimethylpyrimidin-4-amine
SMILESCCS(=O)(=O)C1CSCCN1Cc1nc(C)cc(NC)n1
InChIInChI=1S/C13H22N4O2S2/c1-4-21(18,19)13-9-20-6-5-17(13)8-12-15-10(2)7-11(14-3)16-12/h7,13H,4-6,8-9H2,1-3H3,(H,14,15,16)
InChIKeyUJDRJZPSSVVHKG-UHFFFAOYSA-N
MW330.48 g/mol
LogP1.14
Rot. Bonds5

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

2-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]-N,6-dimethylpyrimidin-4-amine (PubChem CID 80657565) has the molecular formula C13H22N4O2S2 and a molecular weight of 330.48 g/mol. Its IUPAC name is 2-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]-N,6-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]-N,6-dimethylpyrimidin-4-amine
PubChem CID80657565
Molecular FormulaC13H22N4O2S2
Molecular Weight330.48 g/mol
Exact Mass330.12
IUPAC Name2-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]-N,6-dimethylpyrimidin-4-amine
SMILESCCS(=O)(=O)C1CSCCN1Cc1nc(C)cc(NC)n1
InChIInChI=1S/C13H22N4O2S2/c1-4-21(18,19)13-9-20-6-5-17(13)8-12-15-10(2)7-11(14-3)16-12/h7,13H,4-6,8-9H2,1-3H3,(H,14,15,16)
InChIKeyUJDRJZPSSVVHKG-UHFFFAOYSA-N
XLogP1.14
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]-N-methylpyridin-2-amine
CID 66377913
4-(3-ethylsulfonylthiomorpholin-4-yl)-N,6-dimethylpyrimidin-2-amine
CID 80851203
5-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]-N-methylpyridin-2-amine
CID 66378491
6-(3-ethylsulfonylthiomorpholin-4-yl)-N-methyl-2-methylsulfanylpyrimidin-4-amine
CID 80833716
3-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 80653964
1-(3-ethylsulfonylthiomorpholin-4-yl)-N-methylpropan-2-amine
CID 66375830
N-methyl-6-[(3-methylsulfonylthiomorpholin-4-yl)methyl]pyridin-2-amine
CID 79230716
3-(3-ethylsulfonylthiomorpholin-4-yl)-N-methylpropan-1-amine
CID 66377525
4,6-dimethyl-1-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]pyrimidin-2-one
CID 80654493
4-[(4-bromophenyl)methyl]-3-ethylsulfonylthiomorpholine
CID 66378295
4-[3-(chloromethyl)-4,6-dimethyl-2-pyridinyl]-3-ethylsulfonylthiomorpholine
CID 66377521
4-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]-3-ethylsulfonylthiomorpholine
CID 66378095

Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]-N,6-dimethylpyrimidin-4-amine?
The IUPAC name of 2-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]-N,6-dimethylpyrimidin-4-amine (CID 80657565) is 2-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]-N,6-dimethylpyrimidin-4-amine.
What is the SMILES notation for 2-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]-N,6-dimethylpyrimidin-4-amine?
The canonical SMILES for 2-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]-N,6-dimethylpyrimidin-4-amine is CCS(=O)(=O)C1CSCCN1Cc1nc(C)cc(NC)n1.
What is the InChIKey of 2-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]-N,6-dimethylpyrimidin-4-amine?
The InChIKey is UJDRJZPSSVVHKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2S2/c1-4-21(18,19)13-9-20-6-5-17(13)8-12-15-10(2)7-11(14-3)16-12/h7,13H,4-6,8-9H2,1-3H3,(H,14,15,16).
What are the key properties of 2-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]-N,6-dimethylpyrimidin-4-amine?
2-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]-N,6-dimethylpyrimidin-4-amine has a molecular weight of 330.48 g/mol, XLogP of 1.14, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]-N,6-dimethylpyrimidin-4-amine is sourced from PubChem (CID 80657565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).