2-methylsulfanyl-5-(thiophen-2-ylmethylsulfonyl)pyrimidin-4-amine

C10H11N3O2S3 — CID 566159

IUPAC2-methylsulfanyl-5-(thiophen-2-ylmethylsulfonyl)pyrimidin-4-amine
SMILESCSc1ncc(S(=O)(=O)Cc2cccs2)c(N)n1
InChIInChI=1S/C10H11N3O2S3/c1-16-10-12-5-8(9(11)13-10)18(14,15)6-7-3-2-4-17-7/h2-5H,6H2,1H3,(H2,11,12,13)
InChIKeyLVUBKTOMUOOHJC-UHFFFAOYSA-N
MW301.42 g/mol
LogP1.82
Rot. Bonds4

About 2-methylsulfanyl-5-(thiophen-2-ylmethylsulfonyl)pyrimidin-4-amine

2-methylsulfanyl-5-(thiophen-2-ylmethylsulfonyl)pyrimidin-4-amine (PubChem CID 566159) has the molecular formula C10H11N3O2S3 and a molecular weight of 301.42 g/mol. Its IUPAC name is 2-methylsulfanyl-5-(thiophen-2-ylmethylsulfonyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-methylsulfanyl-5-(thiophen-2-ylmethylsulfonyl)pyrimidin-4-amine
PubChem CID566159
Molecular FormulaC10H11N3O2S3
Molecular Weight301.42 g/mol
Exact Mass301.00
IUPAC Name2-methylsulfanyl-5-(thiophen-2-ylmethylsulfonyl)pyrimidin-4-amine
SMILESCSc1ncc(S(=O)(=O)Cc2cccs2)c(N)n1
InChIInChI=1S/C10H11N3O2S3/c1-16-10-12-5-8(9(11)13-10)18(14,15)6-7-3-2-4-17-7/h2-5H,6H2,1H3,(H2,11,12,13)
InChIKeyLVUBKTOMUOOHJC-UHFFFAOYSA-N
XLogP1.82
TPSA85.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.42
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-methylsulfanyl-5-(thiophen-2-ylmethylsulfonyl)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 2-methylsulfanyl-5-(thiophen-2-ylmethylsulfonyl)pyrimidin-4-amine?
The IUPAC name of 2-methylsulfanyl-5-(thiophen-2-ylmethylsulfonyl)pyrimidin-4-amine (CID 566159) is 2-methylsulfanyl-5-(thiophen-2-ylmethylsulfonyl)pyrimidin-4-amine.
What is the SMILES notation for 2-methylsulfanyl-5-(thiophen-2-ylmethylsulfonyl)pyrimidin-4-amine?
The canonical SMILES for 2-methylsulfanyl-5-(thiophen-2-ylmethylsulfonyl)pyrimidin-4-amine is CSc1ncc(S(=O)(=O)Cc2cccs2)c(N)n1.
What is the InChIKey of 2-methylsulfanyl-5-(thiophen-2-ylmethylsulfonyl)pyrimidin-4-amine?
The InChIKey is LVUBKTOMUOOHJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2S3/c1-16-10-12-5-8(9(11)13-10)18(14,15)6-7-3-2-4-17-7/h2-5H,6H2,1H3,(H2,11,12,13).
What are the key properties of 2-methylsulfanyl-5-(thiophen-2-ylmethylsulfonyl)pyrimidin-4-amine?
2-methylsulfanyl-5-(thiophen-2-ylmethylsulfonyl)pyrimidin-4-amine has a molecular weight of 301.42 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-5-(thiophen-2-ylmethylsulfonyl)pyrimidin-4-amine is sourced from PubChem (CID 566159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).