2-amino-3,7-dihydropurine-6-thione;methanol;oxolane-3,4-diol

C10H17N5O4S — CID 156733964

IUPAC2-amino-3,7-dihydropurine-6-thione;methanol;oxolane-3,4-diol
SMILESCO.Nc1nc(=S)c2[nH]cnc2[nH]1.OC1COCC1O
InChIInChI=1S/C5H5N5S.C4H8O3.CH4O/c6-5-9-3-2(4(11)10-5)7-1-8-3;5-3-1-7-2-4(3)6;1-2/h1H,(H4,6,7,8,9,10,11);3-6H,1-2H2;2H,1H3
InChIKeyYNYLNWVCDGXGFB-UHFFFAOYSA-N
MW303.34 g/mol
LogP-1.06
Rot. Bonds

About 2-amino-3,7-dihydropurine-6-thione;methanol;oxolane-3,4-diol

2-amino-3,7-dihydropurine-6-thione;methanol;oxolane-3,4-diol (PubChem CID 156733964) has the molecular formula C10H17N5O4S and a molecular weight of 303.34 g/mol. Its IUPAC name is 2-amino-3,7-dihydropurine-6-thione;methanol;oxolane-3,4-diol.

Molecular Properties

Compound Name2-amino-3,7-dihydropurine-6-thione;methanol;oxolane-3,4-diol
PubChem CID156733964
Molecular FormulaC10H17N5O4S
Molecular Weight303.34 g/mol
Exact Mass303.10
IUPAC Name2-amino-3,7-dihydropurine-6-thione;methanol;oxolane-3,4-diol
SMILESCO.Nc1nc(=S)c2[nH]cnc2[nH]1.OC1COCC1O
InChIInChI=1S/C5H5N5S.C4H8O3.CH4O/c6-5-9-3-2(4(11)10-5)7-1-8-3;5-3-1-7-2-4(3)6;1-2/h1H,(H4,6,7,8,9,10,11);3-6H,1-2H2;2H,1H3
InChIKeyYNYLNWVCDGXGFB-UHFFFAOYSA-N
XLogP-1.06
TPSA153.30 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.34
LogP ≤ 5-1.06
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2-amino-3,7-dihydropurine-6-thione
CID 156593677
2-amino-3,7-dihydropurine-6-thione;aminophosphonic acid;sulfane
CID 175097785
2-amino-3,7-dihydropurine-6-thione;3,7-dihydropurine-2-thione
CID 87073730
bis(2-amino-3,7-dihydropurine-6-thione);3,7-dihydropurine-2-thione;3,7-dihydropurine-6-thione
CID 162128604
2-amino-3,7-dihydropurine-6-thione;pyridine-3-carboxamide
CID 87370042
2-amino-3,7-dihydropurine-6-thione;1-fluoropyrimidine-2,4-dione
CID 18767596
[5-amino-2-[[[5-amino-2-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl] (5-amino-3-hydroxyoxolan-2-yl)methyl hydrogen phosphate;2-amino-3,7-dihydropurine-6-thione
CID 174977825
2-(hydroxyamino)-3,7-dihydropurine-6-thione
CID 3036492
2-(ethylamino)-3,7-dihydropurine-6-thione
CID 4995062
2-amino-3,7-dihydropurine-6-(35S)thione
CID 76964418
4-amino-1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;2-amino-3,7-dihydropurine-6-thione;3,7-dihydropurine-6-thione;methanamine
CID 174893652
2-(propan-2-ylamino)-3,7-dihydropurine-6-thione
CID 134817853

Frequently Asked Questions

What is the IUPAC name of 2-amino-3,7-dihydropurine-6-thione;methanol;oxolane-3,4-diol?
The IUPAC name of 2-amino-3,7-dihydropurine-6-thione;methanol;oxolane-3,4-diol (CID 156733964) is 2-amino-3,7-dihydropurine-6-thione;methanol;oxolane-3,4-diol.
What is the SMILES notation for 2-amino-3,7-dihydropurine-6-thione;methanol;oxolane-3,4-diol?
The canonical SMILES for 2-amino-3,7-dihydropurine-6-thione;methanol;oxolane-3,4-diol is CO.Nc1nc(=S)c2[nH]cnc2[nH]1.OC1COCC1O.
What is the InChIKey of 2-amino-3,7-dihydropurine-6-thione;methanol;oxolane-3,4-diol?
The InChIKey is YNYLNWVCDGXGFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N5S.C4H8O3.CH4O/c6-5-9-3-2(4(11)10-5)7-1-8-3;5-3-1-7-2-4(3)6;1-2/h1H,(H4,6,7,8,9,10,11);3-6H,1-2H2;2H,1H3.
What are the key properties of 2-amino-3,7-dihydropurine-6-thione;methanol;oxolane-3,4-diol?
2-amino-3,7-dihydropurine-6-thione;methanol;oxolane-3,4-diol has a molecular weight of 303.34 g/mol, XLogP of -1.06, 0 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,7-dihydropurine-6-thione;methanol;oxolane-3,4-diol is sourced from PubChem (CID 156733964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).