6-methyl-9-sulfanylpurin-2-amine

C6H7N5S — CID 67204177

IUPAC6-methyl-9-sulfanylpurin-2-amine
SMILESCc1nc(N)nc2c1ncn2S
InChIInChI=1S/C6H7N5S/c1-3-4-5(10-6(7)9-3)11(12)2-8-4/h2,12H,1H3,(H2,7,9,10)
InChIKeyYDWHRUUWCRXIBQ-UHFFFAOYSA-N
MW181.22 g/mol
LogP0.41
Rot. Bonds

About 6-methyl-9-sulfanylpurin-2-amine

6-methyl-9-sulfanylpurin-2-amine (PubChem CID 67204177) has the molecular formula C6H7N5S and a molecular weight of 181.22 g/mol. Its IUPAC name is 6-methyl-9-sulfanylpurin-2-amine.

Molecular Properties

Compound Name6-methyl-9-sulfanylpurin-2-amine
PubChem CID67204177
Molecular FormulaC6H7N5S
Molecular Weight181.22 g/mol
Exact Mass181.04
IUPAC Name6-methyl-9-sulfanylpurin-2-amine
SMILESCc1nc(N)nc2c1ncn2S
InChIInChI=1S/C6H7N5S/c1-3-4-5(10-6(7)9-3)11(12)2-8-4/h2,12H,1H3,(H2,7,9,10)
InChIKeyYDWHRUUWCRXIBQ-UHFFFAOYSA-N
XLogP0.41
TPSA69.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.22
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 6-methyl-9-sulfanylpurin-2-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-methyl-9-sulfanylpurin-2-amine?
The IUPAC name of 6-methyl-9-sulfanylpurin-2-amine (CID 67204177) is 6-methyl-9-sulfanylpurin-2-amine.
What is the SMILES notation for 6-methyl-9-sulfanylpurin-2-amine?
The canonical SMILES for 6-methyl-9-sulfanylpurin-2-amine is Cc1nc(N)nc2c1ncn2S.
What is the InChIKey of 6-methyl-9-sulfanylpurin-2-amine?
The InChIKey is YDWHRUUWCRXIBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N5S/c1-3-4-5(10-6(7)9-3)11(12)2-8-4/h2,12H,1H3,(H2,7,9,10).
What are the key properties of 6-methyl-9-sulfanylpurin-2-amine?
6-methyl-9-sulfanylpurin-2-amine has a molecular weight of 181.22 g/mol, XLogP of 0.41, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-9-sulfanylpurin-2-amine is sourced from PubChem (CID 67204177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).