6-amino-9-[(2R,3R,4S,5R)-5-ethyl-3,4-dimethyloxolan-2-yl]purine-2-diazonium

C13H18N7O+ — CID 59575455

IUPAC6-amino-9-[(2R,3R,4S,5R)-5-ethyl-3,4-dimethyloxolan-2-yl]purine-2-diazonium
SMILESCC[C@H]1O[C@@H](n2cnc3c(N)nc([N+]#N)nc32)[C@H](C)[C@@H]1C
InChIInChI=1S/C13H18N7O/c1-4-8-6(2)7(3)12(21-8)20-5-16-9-10(14)17-13(19-15)18-11(9)20/h5-8,12H,4H2,1-3H3,(H2,14,17,18)/q+1/t6-,7+,8+,12+/m0/s1
InChIKeyTTXXODRUVKBUSB-HIHLCYOISA-N
MW288.34 g/mol
LogP2.47
Rot. Bonds2

About 6-amino-9-[(2R,3R,4S,5R)-5-ethyl-3,4-dimethyloxolan-2-yl]purine-2-diazonium

6-amino-9-[(2R,3R,4S,5R)-5-ethyl-3,4-dimethyloxolan-2-yl]purine-2-diazonium (PubChem CID 59575455) has the molecular formula C13H18N7O+ and a molecular weight of 288.34 g/mol. Its IUPAC name is 6-amino-9-[(2R,3R,4S,5R)-5-ethyl-3,4-dimethyloxolan-2-yl]purine-2-diazonium.

Molecular Properties

Compound Name6-amino-9-[(2R,3R,4S,5R)-5-ethyl-3,4-dimethyloxolan-2-yl]purine-2-diazonium
PubChem CID59575455
Molecular FormulaC13H18N7O+
Molecular Weight288.34 g/mol
Exact Mass288.16
IUPAC Name6-amino-9-[(2R,3R,4S,5R)-5-ethyl-3,4-dimethyloxolan-2-yl]purine-2-diazonium
SMILESCC[C@H]1O[C@@H](n2cnc3c(N)nc([N+]#N)nc32)[C@H](C)[C@@H]1C
InChIInChI=1S/C13H18N7O/c1-4-8-6(2)7(3)12(21-8)20-5-16-9-10(14)17-13(19-15)18-11(9)20/h5-8,12H,4H2,1-3H3,(H2,14,17,18)/q+1/t6-,7+,8+,12+/m0/s1
InChIKeyTTXXODRUVKBUSB-HIHLCYOISA-N
XLogP2.47
TPSA107.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 6-amino-9-[(2R,3R,4S,5R)-5-ethyl-3,4-dimethyloxolan-2-yl]purine-2-diazonium with MolForge

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Launch Full Analysis

Related Compounds

2-chloro-9-[(2R,4R,5R)-5-ethyl-3,4-dimethyloxolan-2-yl]purin-6-amine
CID 58049084
(3R,4S,5R)-2-(2,6-diaminopurin-9-yl)-5-ethyloxolane-3,4-diol
CID 134240596
2-(6-aminopurin-9-yl)-5-ethyl-4-methyloxolan-3-ol
CID 21338241
9-[(2R,4S,5R)-5-ethyl-3,4-dimethyloxolan-2-yl]-1H-purin-6-one
CID 135966732
2-[9-[(3R,4S,5R)-5-ethyl-3,4-dimethyloxolan-2-yl]-6-(methylamino)purin-2-yl]acetonitrile
CID 59881615
4-amino-1-[(4R,5R)-5-ethyl-3,4-dimethyloxolan-2-yl]-1,3,5-triazin-2-one
CID 59188005
9-[(2R,3R,4S,5R)-5-ethyl-3,4-dimethyloxolan-2-yl]-N-methyl-2-[2-(methylamino)ethyl]purin-6-amine
CID 59881601
9-[(2R,3S,4R,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-yl]-6-N,6-N-dimethylpurine-2,6-diamine
CID 134165908
(2R,4S,5R)-5-(6-amino-2-fluoropurin-9-yl)-2-ethyl-4-fluorooxolan-3-ol
CID 58192994
(2R,3S,4S,5R)-5-(6-amino-2-fluoropurin-9-yl)-2-(hydroxymethyl)-4-methyloxolan-3-ol
CID 58233823
[(2R,4S,5R)-2-(6-amino-2-chloropurin-9-yl)-5-ethyl-4-methyloxolan-3-yl] trifluoromethanesulfonate
CID 58049075
(2R,5R)-2-(2,6-diaminopurin-9-yl)-5-(methoxymethyl)oxolane-3,4-diol
CID 69050482

Frequently Asked Questions

What is the IUPAC name of 6-amino-9-[(2R,3R,4S,5R)-5-ethyl-3,4-dimethyloxolan-2-yl]purine-2-diazonium?
The IUPAC name of 6-amino-9-[(2R,3R,4S,5R)-5-ethyl-3,4-dimethyloxolan-2-yl]purine-2-diazonium (CID 59575455) is 6-amino-9-[(2R,3R,4S,5R)-5-ethyl-3,4-dimethyloxolan-2-yl]purine-2-diazonium.
What is the SMILES notation for 6-amino-9-[(2R,3R,4S,5R)-5-ethyl-3,4-dimethyloxolan-2-yl]purine-2-diazonium?
The canonical SMILES for 6-amino-9-[(2R,3R,4S,5R)-5-ethyl-3,4-dimethyloxolan-2-yl]purine-2-diazonium is CC[C@H]1O[C@@H](n2cnc3c(N)nc([N+]#N)nc32)[C@H](C)[C@@H]1C.
What is the InChIKey of 6-amino-9-[(2R,3R,4S,5R)-5-ethyl-3,4-dimethyloxolan-2-yl]purine-2-diazonium?
The InChIKey is TTXXODRUVKBUSB-HIHLCYOISA-N. The full InChI is InChI=1S/C13H18N7O/c1-4-8-6(2)7(3)12(21-8)20-5-16-9-10(14)17-13(19-15)18-11(9)20/h5-8,12H,4H2,1-3H3,(H2,14,17,18)/q+1/t6-,7+,8+,12+/m0/s1.
What are the key properties of 6-amino-9-[(2R,3R,4S,5R)-5-ethyl-3,4-dimethyloxolan-2-yl]purine-2-diazonium?
6-amino-9-[(2R,3R,4S,5R)-5-ethyl-3,4-dimethyloxolan-2-yl]purine-2-diazonium has a molecular weight of 288.34 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-9-[(2R,3R,4S,5R)-5-ethyl-3,4-dimethyloxolan-2-yl]purine-2-diazonium is sourced from PubChem (CID 59575455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).