[5-[2-amino-6-(dimethylamino)purin-9-yl]-3-azidooxolan-2-yl]methanol

C12H17N9O2 — CID 19875293

IUPAC[5-[2-amino-6-(dimethylamino)purin-9-yl]-3-azidooxolan-2-yl]methanol
SMILESCN(C)c1nc(N)nc2c1ncn2C1CC(N=[N+]=[N-])C(CO)O1
InChIInChI=1S/C12H17N9O2/c1-20(2)10-9-11(17-12(13)16-10)21(5-15-9)8-3-6(18-19-14)7(4-22)23-8/h5-8,22H,3-4H2,1-2H3,(H2,13,16,17)
InChIKeyDFJXOUXQJVZGDD-UHFFFAOYSA-N
MW319.33 g/mol
LogP0.43
Rot. Bonds4

About [5-[2-amino-6-(dimethylamino)purin-9-yl]-3-azidooxolan-2-yl]methanol

[5-[2-amino-6-(dimethylamino)purin-9-yl]-3-azidooxolan-2-yl]methanol (PubChem CID 19875293) has the molecular formula C12H17N9O2 and a molecular weight of 319.33 g/mol. Its IUPAC name is [5-[2-amino-6-(dimethylamino)purin-9-yl]-3-azidooxolan-2-yl]methanol.

Molecular Properties

Compound Name[5-[2-amino-6-(dimethylamino)purin-9-yl]-3-azidooxolan-2-yl]methanol
PubChem CID19875293
Molecular FormulaC12H17N9O2
Molecular Weight319.33 g/mol
Exact Mass319.15
IUPAC Name[5-[2-amino-6-(dimethylamino)purin-9-yl]-3-azidooxolan-2-yl]methanol
SMILESCN(C)c1nc(N)nc2c1ncn2C1CC(N=[N+]=[N-])C(CO)O1
InChIInChI=1S/C12H17N9O2/c1-20(2)10-9-11(17-12(13)16-10)21(5-15-9)8-3-6(18-19-14)7(4-22)23-8/h5-8,22H,3-4H2,1-2H3,(H2,13,16,17)
InChIKeyDFJXOUXQJVZGDD-UHFFFAOYSA-N
XLogP0.43
TPSA151.08 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.33
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

[5-[2-amino-6-(propylamino)purin-9-yl]-3-azidooxolan-2-yl]methanol
CID 19875305
2-amino-9-[(2R,4S,5S)-4-azido-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one
CID 135433653
2-amino-9-[(2R,5S)-4-azido-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one
CID 135602118
[[(2R,3R,5S)-3-azido-5-(2,6-diaminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
CID 56683772
2-[2-amino-6-(dimethylamino)purin-9-yl]-5-(hydroxymethyl)-3-methyloxolane-3,4-diol
CID 67431468
(2R,3R,4S,5R)-5-[2-amino-6-(dimethylamino)purin-9-yl]-4-fluoro-2-(hydroxymethyl)oxolan-3-ol
CID 134165870
(2S,3R)-5-(2-amino-6-chloropurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 154723265
[(1R,4S)-4-[2-amino-6-(dimethylamino)purin-9-yl]cyclopent-2-en-1-yl]methanol
CID 18646989
[4-[2-amino-6-(dimethylamino)purin-9-yl]cyclopent-2-en-1-yl]methanol
CID 19822746
(2R,3S)-5-[6-(dimethylamino)purin-9-yl]-2-(hydroxymethyl)oxolan-3-ol
CID 67241978
(2S,3R)-5-(2-amino-6-methoxypurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 154710689
N-[9-[(2R,4S,5S)-4-azido-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]benzamide
CID 90477184

Frequently Asked Questions

What is the IUPAC name of [5-[2-amino-6-(dimethylamino)purin-9-yl]-3-azidooxolan-2-yl]methanol?
The IUPAC name of [5-[2-amino-6-(dimethylamino)purin-9-yl]-3-azidooxolan-2-yl]methanol (CID 19875293) is [5-[2-amino-6-(dimethylamino)purin-9-yl]-3-azidooxolan-2-yl]methanol.
What is the SMILES notation for [5-[2-amino-6-(dimethylamino)purin-9-yl]-3-azidooxolan-2-yl]methanol?
The canonical SMILES for [5-[2-amino-6-(dimethylamino)purin-9-yl]-3-azidooxolan-2-yl]methanol is CN(C)c1nc(N)nc2c1ncn2C1CC(N=[N+]=[N-])C(CO)O1.
What is the InChIKey of [5-[2-amino-6-(dimethylamino)purin-9-yl]-3-azidooxolan-2-yl]methanol?
The InChIKey is DFJXOUXQJVZGDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N9O2/c1-20(2)10-9-11(17-12(13)16-10)21(5-15-9)8-3-6(18-19-14)7(4-22)23-8/h5-8,22H,3-4H2,1-2H3,(H2,13,16,17).
What are the key properties of [5-[2-amino-6-(dimethylamino)purin-9-yl]-3-azidooxolan-2-yl]methanol?
[5-[2-amino-6-(dimethylamino)purin-9-yl]-3-azidooxolan-2-yl]methanol has a molecular weight of 319.33 g/mol, XLogP of 0.43, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[2-amino-6-(dimethylamino)purin-9-yl]-3-azidooxolan-2-yl]methanol is sourced from PubChem (CID 19875293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).