6-amino-N-methylpurine-9-carbothioamide

C7H8N6S — CID 71371806

IUPAC6-amino-N-methylpurine-9-carbothioamide
SMILESCNC(=S)n1cnc2c(N)ncnc21
InChIInChI=1S/C7H8N6S/c1-9-7(14)13-3-12-4-5(8)10-2-11-6(4)13/h2-3H,1H3,(H,9,14)(H2,8,10,11)
InChIKeyANEAEWHZMOAGBB-UHFFFAOYSA-N
MW208.25 g/mol
LogP-0.24
Rot. Bonds

About 6-amino-N-methylpurine-9-carbothioamide

6-amino-N-methylpurine-9-carbothioamide (PubChem CID 71371806) has the molecular formula C7H8N6S and a molecular weight of 208.25 g/mol. Its IUPAC name is 6-amino-N-methylpurine-9-carbothioamide.

Molecular Properties

Compound Name6-amino-N-methylpurine-9-carbothioamide
PubChem CID71371806
Molecular FormulaC7H8N6S
Molecular Weight208.25 g/mol
Exact Mass208.05
IUPAC Name6-amino-N-methylpurine-9-carbothioamide
SMILESCNC(=S)n1cnc2c(N)ncnc21
InChIInChI=1S/C7H8N6S/c1-9-7(14)13-3-12-4-5(8)10-2-11-6(4)13/h2-3H,1H3,(H,9,14)(H2,8,10,11)
InChIKeyANEAEWHZMOAGBB-UHFFFAOYSA-N
XLogP-0.24
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.25
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-amino-N-methylpurine-9-carbothioamide?
The IUPAC name of 6-amino-N-methylpurine-9-carbothioamide (CID 71371806) is 6-amino-N-methylpurine-9-carbothioamide.
What is the SMILES notation for 6-amino-N-methylpurine-9-carbothioamide?
The canonical SMILES for 6-amino-N-methylpurine-9-carbothioamide is CNC(=S)n1cnc2c(N)ncnc21.
What is the InChIKey of 6-amino-N-methylpurine-9-carbothioamide?
The InChIKey is ANEAEWHZMOAGBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N6S/c1-9-7(14)13-3-12-4-5(8)10-2-11-6(4)13/h2-3H,1H3,(H,9,14)(H2,8,10,11).
What are the key properties of 6-amino-N-methylpurine-9-carbothioamide?
6-amino-N-methylpurine-9-carbothioamide has a molecular weight of 208.25 g/mol, XLogP of -0.24, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-methylpurine-9-carbothioamide is sourced from PubChem (CID 71371806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).