5-(6-amino-2-hydrazinylpurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol

C10H15N7O3 — CID 154718024

IUPAC5-(6-amino-2-hydrazinylpurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
SMILESNNc1nc(N)c2ncn(C3CC(O)C(CO)O3)c2n1
InChIInChI=1S/C10H15N7O3/c11-8-7-9(15-10(14-8)16-12)17(3-13-7)6-1-4(19)5(2-18)20-6/h3-6,18-19H,1-2,12H2,(H3,11,14,15,16)
InChIKeyPVBTZBGACFSXPR-UHFFFAOYSA-N
MW281.28 g/mol
LogP-1.67
Rot. Bonds3

About 5-(6-amino-2-hydrazinylpurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol

5-(6-amino-2-hydrazinylpurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol (PubChem CID 154718024) has the molecular formula C10H15N7O3 and a molecular weight of 281.28 g/mol. Its IUPAC name is 5-(6-amino-2-hydrazinylpurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol.

Molecular Properties

Compound Name5-(6-amino-2-hydrazinylpurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
PubChem CID154718024
Molecular FormulaC10H15N7O3
Molecular Weight281.28 g/mol
Exact Mass281.12
IUPAC Name5-(6-amino-2-hydrazinylpurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
SMILESNNc1nc(N)c2ncn(C3CC(O)C(CO)O3)c2n1
InChIInChI=1S/C10H15N7O3/c11-8-7-9(15-10(14-8)16-12)17(3-13-7)6-1-4(19)5(2-18)20-6/h3-6,18-19H,1-2,12H2,(H3,11,14,15,16)
InChIKeyPVBTZBGACFSXPR-UHFFFAOYSA-N
XLogP-1.67
TPSA157.36 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 5-1.67
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2R,5R)-5-(6-amino-2-iodopurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 57002489
(2R,3S,5R)-5-(4-aminoimidazo[4,5-d]triazin-7-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 10933976
(2S,3S,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 7059421
(2S,3R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 125344325
(2R,3S,5R)-5-(6-amino-2-azidopurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 510979
(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)(313C)oxolan-3-ol;hydrate
CID 165412978
(3R,5S,7R)-7-(2,6-diaminopurin-9-yl)-2-(hydroxymethyl)oxepane-3,4,5-triol
CID 58940460
(2S,3R)-5-(2-amino-6-chloropurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 154723265
(3R,5R)-2-(6-amino-2-hydrazinylpurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 59408599
(2R,5R)-2-(6-amino-2-hydrazinylpurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 57128578
(4S,5R)-2-(6-amino-2-hydrazinylpurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 59760572
[6-amino-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-2-yl] 4-methylbenzenesulfonate
CID 15216867

Frequently Asked Questions

What is the IUPAC name of 5-(6-amino-2-hydrazinylpurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol?
The IUPAC name of 5-(6-amino-2-hydrazinylpurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol (CID 154718024) is 5-(6-amino-2-hydrazinylpurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol.
What is the SMILES notation for 5-(6-amino-2-hydrazinylpurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol?
The canonical SMILES for 5-(6-amino-2-hydrazinylpurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol is NNc1nc(N)c2ncn(C3CC(O)C(CO)O3)c2n1.
What is the InChIKey of 5-(6-amino-2-hydrazinylpurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol?
The InChIKey is PVBTZBGACFSXPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N7O3/c11-8-7-9(15-10(14-8)16-12)17(3-13-7)6-1-4(19)5(2-18)20-6/h3-6,18-19H,1-2,12H2,(H3,11,14,15,16).
What are the key properties of 5-(6-amino-2-hydrazinylpurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol?
5-(6-amino-2-hydrazinylpurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol has a molecular weight of 281.28 g/mol, XLogP of -1.67, 3 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-amino-2-hydrazinylpurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol is sourced from PubChem (CID 154718024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).