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

Analyze 4-(3-methylsulfonylthiomorpholin-4-yl)pyrimidin-5-amine with MolForge

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

Launch Full Analysis

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).