6-amino-1,3,4,7-tetrahydropurine-2-thione

C5H7N5S — CID 56607768

IUPAC6-amino-1,3,4,7-tetrahydropurine-2-thione
SMILESNC1=C2NC=NC2NC(=S)N1
InChIInChI=1S/C5H7N5S/c6-3-2-4(8-1-7-2)10-5(11)9-3/h1,4H,6H2,(H,7,8)(H2,9,10,11)
InChIKeyXORJRRMMCDPLAT-UHFFFAOYSA-N
MW169.21 g/mol
LogP-1.45
Rot. Bonds

About 6-amino-1,3,4,7-tetrahydropurine-2-thione

6-amino-1,3,4,7-tetrahydropurine-2-thione (PubChem CID 56607768) has the molecular formula C5H7N5S and a molecular weight of 169.21 g/mol. Its IUPAC name is 6-amino-1,3,4,7-tetrahydropurine-2-thione.

Molecular Properties

Compound Name6-amino-1,3,4,7-tetrahydropurine-2-thione
PubChem CID56607768
Molecular FormulaC5H7N5S
Molecular Weight169.21 g/mol
Exact Mass169.04
IUPAC Name6-amino-1,3,4,7-tetrahydropurine-2-thione
SMILESNC1=C2NC=NC2NC(=S)N1
InChIInChI=1S/C5H7N5S/c6-3-2-4(8-1-7-2)10-5(11)9-3/h1,4H,6H2,(H,7,8)(H2,9,10,11)
InChIKeyXORJRRMMCDPLAT-UHFFFAOYSA-N
XLogP-1.45
TPSA74.47 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.21
LogP ≤ 5-1.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6,8-Dimercaptopurine
CID 3808905
6-Methyl-1,7-dihydro-2H-purine-2-thione
CID 21651427
6-Tetrahydro-6-amino purine
CID 153966157
3,7,8,9-Tetrahydropurine-6-thione
CID 24867573
4,7-dihydro-1H-purin-6-amine
CID 55284895
6,7,8,9-tetrahydro-3H-purine
CID 57306527
6,7,8,9-tetrahydro-3H-purin-6-amine
CID 89493556
3,6,7,9-Tetrahydropurine-8-thione;hydrate
CID 89999639
2,3,4,7-tetrahydro-1H-purine-6-thiol
CID 90120156
1,2,2,3,4,9-Hexadeuteriopurin-6-amine
CID 175854136
3,6,7,9-Tetrahydropurine-8-thione
CID 54495717
6-(Trideuteriomethyl)-1,7-dihydropurine-2-thione
CID 170991229

Frequently Asked Questions

What is the IUPAC name of 6-amino-1,3,4,7-tetrahydropurine-2-thione?
The IUPAC name of 6-amino-1,3,4,7-tetrahydropurine-2-thione (CID 56607768) is 6-amino-1,3,4,7-tetrahydropurine-2-thione.
What is the SMILES notation for 6-amino-1,3,4,7-tetrahydropurine-2-thione?
The canonical SMILES for 6-amino-1,3,4,7-tetrahydropurine-2-thione is NC1=C2NC=NC2NC(=S)N1.
What is the InChIKey of 6-amino-1,3,4,7-tetrahydropurine-2-thione?
The InChIKey is XORJRRMMCDPLAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N5S/c6-3-2-4(8-1-7-2)10-5(11)9-3/h1,4H,6H2,(H,7,8)(H2,9,10,11).
What are the key properties of 6-amino-1,3,4,7-tetrahydropurine-2-thione?
6-amino-1,3,4,7-tetrahydropurine-2-thione has a molecular weight of 169.21 g/mol, XLogP of -1.45, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1,3,4,7-tetrahydropurine-2-thione is sourced from PubChem (CID 56607768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).