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

C5H5N5S — CID 5354970

IUPAC6-amino-7,9-dihydropurine-8-thione
SMILESNc1ncnc2[nH]c(=S)[nH]c12
InChIInChI=1S/C5H5N5S/c6-3-2-4(8-1-7-3)10-5(11)9-2/h1H,(H4,6,7,8,9,10,11)
InChIKeyBHVOFCPOXNYVCE-UHFFFAOYSA-N
MW167.20 g/mol
LogP0.60
Rot. Bonds

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

6-amino-7,9-dihydropurine-8-thione (PubChem CID 5354970) has the molecular formula C5H5N5S and a molecular weight of 167.20 g/mol. Its IUPAC name is 6-amino-7,9-dihydropurine-8-thione.

Molecular Properties

Compound Name6-amino-7,9-dihydropurine-8-thione
PubChem CID5354970
Molecular FormulaC5H5N5S
Molecular Weight167.20 g/mol
Exact Mass167.03
IUPAC Name6-amino-7,9-dihydropurine-8-thione
SMILESNc1ncnc2[nH]c(=S)[nH]c12
InChIInChI=1S/C5H5N5S/c6-3-2-4(8-1-7-3)10-5(11)9-2/h1H,(H4,6,7,8,9,10,11)
InChIKeyBHVOFCPOXNYVCE-UHFFFAOYSA-N
XLogP0.60
TPSA83.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.20
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

8-Hydroxyadenine
CID 5355054
2,6-Diamino-9H-purine-8-thiol
CID 5355144
7H-Purine-8-thiol
CID 4265275
4,5,6-Pyrimidinetriamine
CID 67049
Nsc7863
CID 4388546
2-chloro-9H-purin-8-yl hydrosulfide
CID 5355349
4,6-Diamino-5-guanidinopyrimidine
CID 130011
6-Amino-8,9-dihydro-7H-purin-8-YL
CID 447200
7-Methyl-8,9-dihydro-7H-purin-6-ylamine
CID 21868318
7,9-Dihydro-6-methyl-8H-purine-8-thione
CID 5385950
6-Amino-N-methyl-9H-purine-9-carbothioamide
CID 71371806
Methylpurinethiol
CID 6451228

Frequently Asked Questions

What is the IUPAC name of 6-amino-7,9-dihydropurine-8-thione?
The IUPAC name of 6-amino-7,9-dihydropurine-8-thione (CID 5354970) is 6-amino-7,9-dihydropurine-8-thione.
What is the SMILES notation for 6-amino-7,9-dihydropurine-8-thione?
The canonical SMILES for 6-amino-7,9-dihydropurine-8-thione is Nc1ncnc2[nH]c(=S)[nH]c12.
What is the InChIKey of 6-amino-7,9-dihydropurine-8-thione?
The InChIKey is BHVOFCPOXNYVCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N5S/c6-3-2-4(8-1-7-3)10-5(11)9-2/h1H,(H4,6,7,8,9,10,11).
What are the key properties of 6-amino-7,9-dihydropurine-8-thione?
6-amino-7,9-dihydropurine-8-thione has a molecular weight of 167.20 g/mol, XLogP of 0.60, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-7,9-dihydropurine-8-thione is sourced from PubChem (CID 5354970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).