2-methylsulfanyl-5-methylsulfonylpyrimidin-4-amine

C6H9N3O2S2 — CID 82392895

IUPAC2-methylsulfanyl-5-methylsulfonylpyrimidin-4-amine
SMILESCSc1ncc(S(C)(=O)=O)c(N)n1
InChIInChI=1S/C6H9N3O2S2/c1-12-6-8-3-4(5(7)9-6)13(2,10)11/h3H,1-2H3,(H2,7,8,9)
InChIKeyZCCRSXNNABEAIM-UHFFFAOYSA-N
MW219.29 g/mol
LogP0.18
Rot. Bonds2

About 2-methylsulfanyl-5-methylsulfonylpyrimidin-4-amine

2-methylsulfanyl-5-methylsulfonylpyrimidin-4-amine (PubChem CID 82392895) has the molecular formula C6H9N3O2S2 and a molecular weight of 219.29 g/mol. Its IUPAC name is 2-methylsulfanyl-5-methylsulfonylpyrimidin-4-amine.

Molecular Properties

Compound Name2-methylsulfanyl-5-methylsulfonylpyrimidin-4-amine
PubChem CID82392895
Molecular FormulaC6H9N3O2S2
Molecular Weight219.29 g/mol
Exact Mass219.01
IUPAC Name2-methylsulfanyl-5-methylsulfonylpyrimidin-4-amine
SMILESCSc1ncc(S(C)(=O)=O)c(N)n1
InChIInChI=1S/C6H9N3O2S2/c1-12-6-8-3-4(5(7)9-6)13(2,10)11/h3H,1-2H3,(H2,7,8,9)
InChIKeyZCCRSXNNABEAIM-UHFFFAOYSA-N
XLogP0.18
TPSA85.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-5-methylsulfonylpyrimidin-4-amine?
The IUPAC name of 2-methylsulfanyl-5-methylsulfonylpyrimidin-4-amine (CID 82392895) is 2-methylsulfanyl-5-methylsulfonylpyrimidin-4-amine.
What is the SMILES notation for 2-methylsulfanyl-5-methylsulfonylpyrimidin-4-amine?
The canonical SMILES for 2-methylsulfanyl-5-methylsulfonylpyrimidin-4-amine is CSc1ncc(S(C)(=O)=O)c(N)n1.
What is the InChIKey of 2-methylsulfanyl-5-methylsulfonylpyrimidin-4-amine?
The InChIKey is ZCCRSXNNABEAIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O2S2/c1-12-6-8-3-4(5(7)9-6)13(2,10)11/h3H,1-2H3,(H2,7,8,9).
What are the key properties of 2-methylsulfanyl-5-methylsulfonylpyrimidin-4-amine?
2-methylsulfanyl-5-methylsulfonylpyrimidin-4-amine has a molecular weight of 219.29 g/mol, XLogP of 0.18, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-5-methylsulfonylpyrimidin-4-amine is sourced from PubChem (CID 82392895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).