9-amino-7-methyl-3,8-dihydropurine-6-thione

C6H9N5S — CID 175171169

IUPAC9-amino-7-methyl-3,8-dihydropurine-6-thione
SMILESCN1CN(N)c2[nH]cnc(=S)c21
InChIInChI=1S/C6H9N5S/c1-10-3-11(7)5-4(10)6(12)9-2-8-5/h2H,3,7H2,1H3,(H,8,9,12)
InChIKeyVJLQHGSVOGEOHM-UHFFFAOYSA-N
MW183.24 g/mol
LogP0.23
Rot. Bonds

About 9-amino-7-methyl-3,8-dihydropurine-6-thione

9-amino-7-methyl-3,8-dihydropurine-6-thione (PubChem CID 175171169) has the molecular formula C6H9N5S and a molecular weight of 183.24 g/mol. Its IUPAC name is 9-amino-7-methyl-3,8-dihydropurine-6-thione.

Molecular Properties

Compound Name9-amino-7-methyl-3,8-dihydropurine-6-thione
PubChem CID175171169
Molecular FormulaC6H9N5S
Molecular Weight183.24 g/mol
Exact Mass183.06
IUPAC Name9-amino-7-methyl-3,8-dihydropurine-6-thione
SMILESCN1CN(N)c2[nH]cnc(=S)c21
InChIInChI=1S/C6H9N5S/c1-10-3-11(7)5-4(10)6(12)9-2-8-5/h2H,3,7H2,1H3,(H,8,9,12)
InChIKeyVJLQHGSVOGEOHM-UHFFFAOYSA-N
XLogP0.23
TPSA61.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.24
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9-amino-7-methyl-3,8-dihydropurine-6-thione?
The IUPAC name of 9-amino-7-methyl-3,8-dihydropurine-6-thione (CID 175171169) is 9-amino-7-methyl-3,8-dihydropurine-6-thione.
What is the SMILES notation for 9-amino-7-methyl-3,8-dihydropurine-6-thione?
The canonical SMILES for 9-amino-7-methyl-3,8-dihydropurine-6-thione is CN1CN(N)c2[nH]cnc(=S)c21.
What is the InChIKey of 9-amino-7-methyl-3,8-dihydropurine-6-thione?
The InChIKey is VJLQHGSVOGEOHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N5S/c1-10-3-11(7)5-4(10)6(12)9-2-8-5/h2H,3,7H2,1H3,(H,8,9,12).
What are the key properties of 9-amino-7-methyl-3,8-dihydropurine-6-thione?
9-amino-7-methyl-3,8-dihydropurine-6-thione has a molecular weight of 183.24 g/mol, XLogP of 0.23, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-7-methyl-3,8-dihydropurine-6-thione is sourced from PubChem (CID 175171169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).