8-methylsulfanyl-7H-purin-6-amine

C6H7N5S — CID 935524

IUPAC8-methylsulfanyl-7H-purin-6-amine
SMILESCSc1nc2ncnc(N)c2[nH]1
InChIInChI=1S/C6H7N5S/c1-12-6-10-3-4(7)8-2-9-5(3)11-6/h2H,1H3,(H3,7,8,9,10,11)
InChIKeyFEVUWFPPXQJXFN-UHFFFAOYSA-N
MW181.22 g/mol
LogP0.66
Rot. Bonds1

About 8-methylsulfanyl-7H-purin-6-amine

8-methylsulfanyl-7H-purin-6-amine (PubChem CID 935524) has the molecular formula C6H7N5S and a molecular weight of 181.22 g/mol. Its IUPAC name is 8-methylsulfanyl-7H-purin-6-amine.

Molecular Properties

Compound Name8-methylsulfanyl-7H-purin-6-amine
PubChem CID935524
Molecular FormulaC6H7N5S
Molecular Weight181.22 g/mol
Exact Mass181.04
IUPAC Name8-methylsulfanyl-7H-purin-6-amine
SMILESCSc1nc2ncnc(N)c2[nH]1
InChIInChI=1S/C6H7N5S/c1-12-6-10-3-4(7)8-2-9-5(3)11-6/h2H,1H3,(H3,7,8,9,10,11)
InChIKeyFEVUWFPPXQJXFN-UHFFFAOYSA-N
XLogP0.66
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.22
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-methylsulfanyl-7H-purin-6-amine?
The IUPAC name of 8-methylsulfanyl-7H-purin-6-amine (CID 935524) is 8-methylsulfanyl-7H-purin-6-amine.
What is the SMILES notation for 8-methylsulfanyl-7H-purin-6-amine?
The canonical SMILES for 8-methylsulfanyl-7H-purin-6-amine is CSc1nc2ncnc(N)c2[nH]1.
What is the InChIKey of 8-methylsulfanyl-7H-purin-6-amine?
The InChIKey is FEVUWFPPXQJXFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N5S/c1-12-6-10-3-4(7)8-2-9-5(3)11-6/h2H,1H3,(H3,7,8,9,10,11).
What are the key properties of 8-methylsulfanyl-7H-purin-6-amine?
8-methylsulfanyl-7H-purin-6-amine has a molecular weight of 181.22 g/mol, XLogP of 0.66, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methylsulfanyl-7H-purin-6-amine is sourced from PubChem (CID 935524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).