2-amino-3,7-dihydropurine-6-thione;3,7-dihydropurine-2-thione

C10H9N9S2 — CID 87073730

IUPAC2-amino-3,7-dihydropurine-6-thione;3,7-dihydropurine-2-thione
SMILESNc1nc(=S)c2[nH]cnc2[nH]1.S=c1ncc2[nH]cnc2[nH]1
InChIInChI=1S/C5H5N5S.C5H4N4S/c6-5-9-3-2(4(11)10-5)7-1-8-3;10-5-6-1-3-4(9-5)8-2-7-3/h1H,(H4,6,7,8,9,10,11);1-2H,(H2,6,7,8,9,10)
InChIKeyQAIUQRMHMACFFU-UHFFFAOYSA-N
MW319.38 g/mol
LogP1.61
Rot. Bonds

About 2-amino-3,7-dihydropurine-6-thione;3,7-dihydropurine-2-thione

2-amino-3,7-dihydropurine-6-thione;3,7-dihydropurine-2-thione (PubChem CID 87073730) has the molecular formula C10H9N9S2 and a molecular weight of 319.38 g/mol. Its IUPAC name is 2-amino-3,7-dihydropurine-6-thione;3,7-dihydropurine-2-thione.

Molecular Properties

Compound Name2-amino-3,7-dihydropurine-6-thione;3,7-dihydropurine-2-thione
PubChem CID87073730
Molecular FormulaC10H9N9S2
Molecular Weight319.38 g/mol
Exact Mass319.04
IUPAC Name2-amino-3,7-dihydropurine-6-thione;3,7-dihydropurine-2-thione
SMILESNc1nc(=S)c2[nH]cnc2[nH]1.S=c1ncc2[nH]cnc2[nH]1
InChIInChI=1S/C5H5N5S.C5H4N4S/c6-5-9-3-2(4(11)10-5)7-1-8-3;10-5-6-1-3-4(9-5)8-2-7-3/h1H,(H4,6,7,8,9,10,11);1-2H,(H2,6,7,8,9,10)
InChIKeyQAIUQRMHMACFFU-UHFFFAOYSA-N
XLogP1.61
TPSA140.74 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.38
LogP ≤ 51.61
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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 2-amino-3,7-dihydropurine-6-thione;3,7-dihydropurine-2-thione?
The IUPAC name of 2-amino-3,7-dihydropurine-6-thione;3,7-dihydropurine-2-thione (CID 87073730) is 2-amino-3,7-dihydropurine-6-thione;3,7-dihydropurine-2-thione.
What is the SMILES notation for 2-amino-3,7-dihydropurine-6-thione;3,7-dihydropurine-2-thione?
The canonical SMILES for 2-amino-3,7-dihydropurine-6-thione;3,7-dihydropurine-2-thione is Nc1nc(=S)c2[nH]cnc2[nH]1.S=c1ncc2[nH]cnc2[nH]1.
What is the InChIKey of 2-amino-3,7-dihydropurine-6-thione;3,7-dihydropurine-2-thione?
The InChIKey is QAIUQRMHMACFFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N5S.C5H4N4S/c6-5-9-3-2(4(11)10-5)7-1-8-3;10-5-6-1-3-4(9-5)8-2-7-3/h1H,(H4,6,7,8,9,10,11);1-2H,(H2,6,7,8,9,10).
What are the key properties of 2-amino-3,7-dihydropurine-6-thione;3,7-dihydropurine-2-thione?
2-amino-3,7-dihydropurine-6-thione;3,7-dihydropurine-2-thione has a molecular weight of 319.38 g/mol, XLogP of 1.61, 0 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,7-dihydropurine-6-thione;3,7-dihydropurine-2-thione is sourced from PubChem (CID 87073730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).