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

C6H6N4S — CID 5385950

IUPAC6-methyl-7,9-dihydropurine-8-thione
SMILESCc1ncnc2[nH]c(=S)[nH]c12
InChIInChI=1S/C6H6N4S/c1-3-4-5(8-2-7-3)10-6(11)9-4/h2H,1H3,(H2,7,8,9,10,11)
InChIKeyVGAINZIYXKPPDS-UHFFFAOYSA-N
MW166.21 g/mol
LogP1.32
Rot. Bonds

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

6-methyl-7,9-dihydropurine-8-thione (PubChem CID 5385950) has the molecular formula C6H6N4S and a molecular weight of 166.21 g/mol. Its IUPAC name is 6-methyl-7,9-dihydropurine-8-thione.

Molecular Properties

Compound Name6-methyl-7,9-dihydropurine-8-thione
PubChem CID5385950
Molecular FormulaC6H6N4S
Molecular Weight166.21 g/mol
Exact Mass166.03
IUPAC Name6-methyl-7,9-dihydropurine-8-thione
SMILESCc1ncnc2[nH]c(=S)[nH]c12
InChIInChI=1S/C6H6N4S/c1-3-4-5(8-2-7-3)10-6(11)9-4/h2H,1H3,(H2,7,8,9,10,11)
InChIKeyVGAINZIYXKPPDS-UHFFFAOYSA-N
XLogP1.32
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.21
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-Amino-7,9-dihydro-8H-purine-8-thione
CID 5354970
6-Methylpyrimidine-4,5-diamine
CID 275296
N4,6-Dimethyl-4,5-pyrimidinediamine
CID 12212194
N5,6-dimethylpyrimidine-4,5-diamine
CID 45080466
6-Methylpyrimidine-4,5-diamine hydrochloride
CID 121230800
6-Methyl-9-sulfanylpurine
CID 57296795
6-Methyl-9-sulfanylpurin-2-amine
CID 67204177
5-(Ethylideneamino)-6-methylpyrimidin-4-amine
CID 89131447
2-Methyl-5-thioformylamino-methyl-6-amino-pyrimidine
CID 129704520
Amlxevmubuhmfw-uhfffaoysa-
CID 11400958
8-Mercapto-9-propyladenine
CID 102232826
7,8-Dihydro-1H-purine-6-carbonitrile
CID 14642264

Frequently Asked Questions

What is the IUPAC name of 6-methyl-7,9-dihydropurine-8-thione?
The IUPAC name of 6-methyl-7,9-dihydropurine-8-thione (CID 5385950) is 6-methyl-7,9-dihydropurine-8-thione.
What is the SMILES notation for 6-methyl-7,9-dihydropurine-8-thione?
The canonical SMILES for 6-methyl-7,9-dihydropurine-8-thione is Cc1ncnc2[nH]c(=S)[nH]c12.
What is the InChIKey of 6-methyl-7,9-dihydropurine-8-thione?
The InChIKey is VGAINZIYXKPPDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4S/c1-3-4-5(8-2-7-3)10-6(11)9-4/h2H,1H3,(H2,7,8,9,10,11).
What are the key properties of 6-methyl-7,9-dihydropurine-8-thione?
6-methyl-7,9-dihydropurine-8-thione has a molecular weight of 166.21 g/mol, XLogP of 1.32, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-7,9-dihydropurine-8-thione is sourced from PubChem (CID 5385950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).