4-(3-methylsulfonylthiomorpholin-4-yl)pyrimidin-5-amine

C9H14N4O2S2 — CID 79915838

IUPAC4-(3-methylsulfonylthiomorpholin-4-yl)pyrimidin-5-amine
SMILESCS(=O)(=O)C1CSCCN1c1ncncc1N
InChIInChI=1S/C9H14N4O2S2/c1-17(14,15)8-5-16-3-2-13(8)9-7(10)4-11-6-12-9/h4,6,8H,2-3,5,10H2,1H3
InChIKeyPIMAAGCMEFKUCV-UHFFFAOYSA-N
MW274.37 g/mol
LogP-0.02
Rot. Bonds2

About 4-(3-methylsulfonylthiomorpholin-4-yl)pyrimidin-5-amine

4-(3-methylsulfonylthiomorpholin-4-yl)pyrimidin-5-amine (PubChem CID 79915838) has the molecular formula C9H14N4O2S2 and a molecular weight of 274.37 g/mol. Its IUPAC name is 4-(3-methylsulfonylthiomorpholin-4-yl)pyrimidin-5-amine.

Molecular Properties

Compound Name4-(3-methylsulfonylthiomorpholin-4-yl)pyrimidin-5-amine
PubChem CID79915838
Molecular FormulaC9H14N4O2S2
Molecular Weight274.37 g/mol
Exact Mass274.06
IUPAC Name4-(3-methylsulfonylthiomorpholin-4-yl)pyrimidin-5-amine
SMILESCS(=O)(=O)C1CSCCN1c1ncncc1N
InChIInChI=1S/C9H14N4O2S2/c1-17(14,15)8-5-16-3-2-13(8)9-7(10)4-11-6-12-9/h4,6,8H,2-3,5,10H2,1H3
InChIKeyPIMAAGCMEFKUCV-UHFFFAOYSA-N
XLogP-0.02
TPSA89.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-bromo-4-methyl-6-(3-methylsulfonylthiomorpholin-4-yl)pyridin-3-amine
CID 104506988
3-ethylsulfonyl-4-(5-iodopyrimidin-4-yl)thiomorpholine
CID 66376036
4-(3-methylsulfonylthiomorpholin-4-yl)quinazolin-6-amine
CID 66382775
6-(3-methylsulfonylthiomorpholin-4-yl)pyrazin-2-amine
CID 80648375
4-(3-methylsulfonylthiomorpholin-4-yl)quinolin-3-amine
CID 103963434
6-(3-ethylsulfonylthiomorpholin-4-yl)-5-methylpyrimidin-4-amine
CID 80851039
[6-(3-methylsulfonylthiomorpholin-4-yl)-5-propylpyrimidin-4-yl]hydrazine
CID 80925707
4-(6-chloropyrazin-2-yl)-3-methylsulfonylthiomorpholine
CID 66383089
2-ethoxy-6-(3-methylsulfonylthiomorpholin-4-yl)pyridin-3-amine
CID 66382975
5-methylsulfonyl-2-(3-methylsulfonylthiomorpholin-4-yl)aniline
CID 66383352
6-(3-methylsulfonylthiomorpholin-4-yl)-5-nitropyridin-2-amine
CID 80850394
1-[2-(3-methylsulfonylthiomorpholin-4-yl)-1,3-thiazol-5-yl]ethanamine
CID 66384579

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylsulfonylthiomorpholin-4-yl)pyrimidin-5-amine?
The IUPAC name of 4-(3-methylsulfonylthiomorpholin-4-yl)pyrimidin-5-amine (CID 79915838) is 4-(3-methylsulfonylthiomorpholin-4-yl)pyrimidin-5-amine.
What is the SMILES notation for 4-(3-methylsulfonylthiomorpholin-4-yl)pyrimidin-5-amine?
The canonical SMILES for 4-(3-methylsulfonylthiomorpholin-4-yl)pyrimidin-5-amine is CS(=O)(=O)C1CSCCN1c1ncncc1N.
What is the InChIKey of 4-(3-methylsulfonylthiomorpholin-4-yl)pyrimidin-5-amine?
The InChIKey is PIMAAGCMEFKUCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2S2/c1-17(14,15)8-5-16-3-2-13(8)9-7(10)4-11-6-12-9/h4,6,8H,2-3,5,10H2,1H3.
What are the key properties of 4-(3-methylsulfonylthiomorpholin-4-yl)pyrimidin-5-amine?
4-(3-methylsulfonylthiomorpholin-4-yl)pyrimidin-5-amine has a molecular weight of 274.37 g/mol, XLogP of -0.02, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylsulfonylthiomorpholin-4-yl)pyrimidin-5-amine is sourced from PubChem (CID 79915838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).