6-(2-methylsulfonylethylsulfanyl)pyrimidin-4-amine

C7H11N3O2S2 — CID 80883221

IUPAC6-(2-methylsulfonylethylsulfanyl)pyrimidin-4-amine
SMILESCS(=O)(=O)CCSc1cc(N)ncn1
InChIInChI=1S/C7H11N3O2S2/c1-14(11,12)3-2-13-7-4-6(8)9-5-10-7/h4-5H,2-3H2,1H3,(H2,8,9,10)
InChIKeyVJXIZOLQINXJNT-UHFFFAOYSA-N
MW233.32 g/mol
LogP0.20
Rot. Bonds4

About 6-(2-methylsulfonylethylsulfanyl)pyrimidin-4-amine

6-(2-methylsulfonylethylsulfanyl)pyrimidin-4-amine (PubChem CID 80883221) has the molecular formula C7H11N3O2S2 and a molecular weight of 233.32 g/mol. Its IUPAC name is 6-(2-methylsulfonylethylsulfanyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-(2-methylsulfonylethylsulfanyl)pyrimidin-4-amine
PubChem CID80883221
Molecular FormulaC7H11N3O2S2
Molecular Weight233.32 g/mol
Exact Mass233.03
IUPAC Name6-(2-methylsulfonylethylsulfanyl)pyrimidin-4-amine
SMILESCS(=O)(=O)CCSc1cc(N)ncn1
InChIInChI=1S/C7H11N3O2S2/c1-14(11,12)3-2-13-7-4-6(8)9-5-10-7/h4-5H,2-3H2,1H3,(H2,8,9,10)
InChIKeyVJXIZOLQINXJNT-UHFFFAOYSA-N
XLogP0.20
TPSA85.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.32
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-(2-methylsulfonylethylsulfanyl)pyrimidin-4-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 6-(2-methylsulfonylethylsulfanyl)pyrimidin-4-amine?
The IUPAC name of 6-(2-methylsulfonylethylsulfanyl)pyrimidin-4-amine (CID 80883221) is 6-(2-methylsulfonylethylsulfanyl)pyrimidin-4-amine.
What is the SMILES notation for 6-(2-methylsulfonylethylsulfanyl)pyrimidin-4-amine?
The canonical SMILES for 6-(2-methylsulfonylethylsulfanyl)pyrimidin-4-amine is CS(=O)(=O)CCSc1cc(N)ncn1.
What is the InChIKey of 6-(2-methylsulfonylethylsulfanyl)pyrimidin-4-amine?
The InChIKey is VJXIZOLQINXJNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2S2/c1-14(11,12)3-2-13-7-4-6(8)9-5-10-7/h4-5H,2-3H2,1H3,(H2,8,9,10).
What are the key properties of 6-(2-methylsulfonylethylsulfanyl)pyrimidin-4-amine?
6-(2-methylsulfonylethylsulfanyl)pyrimidin-4-amine has a molecular weight of 233.32 g/mol, XLogP of 0.20, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylsulfonylethylsulfanyl)pyrimidin-4-amine is sourced from PubChem (CID 80883221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).