2-amino-9-[(2R,5S)-5-(hydrazinylmethyl)oxolan-2-yl]-1H-purin-6-one

C10H15N7O2 — CID 137213095

IUPAC2-amino-9-[(2R,5S)-5-(hydrazinylmethyl)oxolan-2-yl]-1H-purin-6-one
SMILESNNC[C@@H]1CC[C@H](n2cnc3c(=O)[nH]c(N)nc32)O1
InChIInChI=1S/C10H15N7O2/c11-10-15-8-7(9(18)16-10)13-4-17(8)6-2-1-5(19-6)3-14-12/h4-6,14H,1-3,12H2,(H3,11,15,16,18)/t5-,6+/m0/s1
InChIKeyHXOVCNSLTCNDMV-NTSWFWBYSA-N
MW265.28 g/mol
LogP-1.16
Rot. Bonds3

About 2-amino-9-[(2R,5S)-5-(hydrazinylmethyl)oxolan-2-yl]-1H-purin-6-one

2-amino-9-[(2R,5S)-5-(hydrazinylmethyl)oxolan-2-yl]-1H-purin-6-one (PubChem CID 137213095) has the molecular formula C10H15N7O2 and a molecular weight of 265.28 g/mol. Its IUPAC name is 2-amino-9-[(2R,5S)-5-(hydrazinylmethyl)oxolan-2-yl]-1H-purin-6-one.

Molecular Properties

Compound Name2-amino-9-[(2R,5S)-5-(hydrazinylmethyl)oxolan-2-yl]-1H-purin-6-one
PubChem CID137213095
Molecular FormulaC10H15N7O2
Molecular Weight265.28 g/mol
Exact Mass265.13
IUPAC Name2-amino-9-[(2R,5S)-5-(hydrazinylmethyl)oxolan-2-yl]-1H-purin-6-one
SMILESNNC[C@@H]1CC[C@H](n2cnc3c(=O)[nH]c(N)nc32)O1
InChIInChI=1S/C10H15N7O2/c11-10-15-8-7(9(18)16-10)13-4-17(8)6-2-1-5(19-6)3-14-12/h4-6,14H,1-3,12H2,(H3,11,15,16,18)/t5-,6+/m0/s1
InChIKeyHXOVCNSLTCNDMV-NTSWFWBYSA-N
XLogP-1.16
TPSA136.87 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 5-1.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

2-amino-9-[5-(methylphosphanyloxymethyl)oxolan-2-yl]-1H-purin-6-one
CID 142386439
[5-(2-amino-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxy-oxophosphanium
CID 137081386
[(2S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-sulfanylphosphinous acid
CID 170608283
[[(2S,5S)-5-(2-amino-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
CID 136722914
2-amino-9-[5-(1,2-dihydroxyethyl)oxolan-2-yl]-1H-purin-6-one
CID 139569790
2-amino-9-[(2R,6S)-6-(hydroxymethyl)morpholin-2-yl]-1H-purin-6-one
CID 135565717
sodium [[[(2S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl] hydrogen phosphate
CID 135445714
2-amino-9-cyclopentyl-1H-purin-6-one
CID 135408673
2-amino-9-[(2R,4R,5R)-5-(hydrazinylmethyl)-3,4-dihydroxyoxolan-2-yl]-1H-purin-6-one
CID 136663933
[(2R,3S,6R)-6-(2-amino-6-oxo-1H-purin-9-yl)-3-hydroxyoxan-2-yl]methyl dihydrogen phosphate
CID 137350163
2-amino-9-[(2R,5S)-5-[[1-[(2S,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-(hydroxymethyl)oxolan-3-yl]triazol-4-yl]methyl]oxolan-2-yl]-1H-purin-6-one
CID 137213076
2-amino-9-[(2R,5R)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-1H-purin-6-one
CID 135457959

Frequently Asked Questions

What is the IUPAC name of 2-amino-9-[(2R,5S)-5-(hydrazinylmethyl)oxolan-2-yl]-1H-purin-6-one?
The IUPAC name of 2-amino-9-[(2R,5S)-5-(hydrazinylmethyl)oxolan-2-yl]-1H-purin-6-one (CID 137213095) is 2-amino-9-[(2R,5S)-5-(hydrazinylmethyl)oxolan-2-yl]-1H-purin-6-one.
What is the SMILES notation for 2-amino-9-[(2R,5S)-5-(hydrazinylmethyl)oxolan-2-yl]-1H-purin-6-one?
The canonical SMILES for 2-amino-9-[(2R,5S)-5-(hydrazinylmethyl)oxolan-2-yl]-1H-purin-6-one is NNC[C@@H]1CC[C@H](n2cnc3c(=O)[nH]c(N)nc32)O1.
What is the InChIKey of 2-amino-9-[(2R,5S)-5-(hydrazinylmethyl)oxolan-2-yl]-1H-purin-6-one?
The InChIKey is HXOVCNSLTCNDMV-NTSWFWBYSA-N. The full InChI is InChI=1S/C10H15N7O2/c11-10-15-8-7(9(18)16-10)13-4-17(8)6-2-1-5(19-6)3-14-12/h4-6,14H,1-3,12H2,(H3,11,15,16,18)/t5-,6+/m0/s1.
What are the key properties of 2-amino-9-[(2R,5S)-5-(hydrazinylmethyl)oxolan-2-yl]-1H-purin-6-one?
2-amino-9-[(2R,5S)-5-(hydrazinylmethyl)oxolan-2-yl]-1H-purin-6-one has a molecular weight of 265.28 g/mol, XLogP of -1.16, 3 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-9-[(2R,5S)-5-(hydrazinylmethyl)oxolan-2-yl]-1H-purin-6-one is sourced from PubChem (CID 137213095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).