N-[2-(1-hydroxyethyl)-5-(6-oxo-1H-purin-9-yl)oxolan-3-yl]acetamide

C13H17N5O4 — CID 135493687

IUPACN-[2-(1-hydroxyethyl)-5-(6-oxo-1H-purin-9-yl)oxolan-3-yl]acetamide
SMILESCC(=O)NC1CC(n2cnc3c(=O)[nH]cnc32)OC1C(C)O
InChIInChI=1S/C13H17N5O4/c1-6(19)11-8(17-7(2)20)3-9(22-11)18-5-16-10-12(18)14-4-15-13(10)21/h4-6,8-9,11,19H,3H2,1-2H3,(H,17,20)(H,14,15,21)
InChIKeyYBXUVZCODIRMDZ-UHFFFAOYSA-N
MW307.31 g/mol
LogP-0.71
Rot. Bonds3

About N-[2-(1-hydroxyethyl)-5-(6-oxo-1H-purin-9-yl)oxolan-3-yl]acetamide

N-[2-(1-hydroxyethyl)-5-(6-oxo-1H-purin-9-yl)oxolan-3-yl]acetamide (PubChem CID 135493687) has the molecular formula C13H17N5O4 and a molecular weight of 307.31 g/mol. Its IUPAC name is N-[2-(1-hydroxyethyl)-5-(6-oxo-1H-purin-9-yl)oxolan-3-yl]acetamide.

Molecular Properties

Compound NameN-[2-(1-hydroxyethyl)-5-(6-oxo-1H-purin-9-yl)oxolan-3-yl]acetamide
PubChem CID135493687
Molecular FormulaC13H17N5O4
Molecular Weight307.31 g/mol
Exact Mass307.13
IUPAC NameN-[2-(1-hydroxyethyl)-5-(6-oxo-1H-purin-9-yl)oxolan-3-yl]acetamide
SMILESCC(=O)NC1CC(n2cnc3c(=O)[nH]cnc32)OC1C(C)O
InChIInChI=1S/C13H17N5O4/c1-6(19)11-8(17-7(2)20)3-9(22-11)18-5-16-10-12(18)14-4-15-13(10)21/h4-6,8-9,11,19H,3H2,1-2H3,(H,17,20)(H,14,15,21)
InChIKeyYBXUVZCODIRMDZ-UHFFFAOYSA-N
XLogP-0.71
TPSA122.13 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 5-0.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

9-[(2R,4S,5S)-5-[[tert-butyl(dimethyl)silyl]-hydroxymethyl]-4-hydroxyoxolan-2-yl]-1H-purin-6-one
CID 175717588
9-[(2R,4S)-4-(hydroxymethyl)oxetan-2-yl]-1H-purin-6-one
CID 135508917
9-[4-(hydroxymethyl)oxetan-2-yl]-1H-purin-6-one
CID 135856505
[(2R,3R,5R)-3-acetyloxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methyl acetate
CID 137278067
[(2S,5R)-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methyl acetate
CID 135565968
9-[(2R,4R,5S)-4-ethanimidoyl-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one
CID 135497016
9-[(2R,4S)-5-(fluoromethylidene)-4-hydroxyoxolan-2-yl]-1H-purin-6-one
CID 173342150
9-[(2S)-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one
CID 137132957
2-amino-9-[(2R,4S,5S)-5-[amino(hydroxy)methyl]-4-hydroxyoxolan-2-yl]-1H-purin-6-one
CID 175719934
[(2R,3S,5R)-3-hydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methyl dihydrogen phosphate
CID 135398614
9-[(2R,5R)-5-(azidomethyl)-4-hydroxyoxolan-2-yl]-1H-purin-6-one
CID 172642337
9-[(6R)-6-(hydroxymethyl)-1,4-oxathian-2-yl]-1H-purin-6-one
CID 136805617

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-hydroxyethyl)-5-(6-oxo-1H-purin-9-yl)oxolan-3-yl]acetamide?
The IUPAC name of N-[2-(1-hydroxyethyl)-5-(6-oxo-1H-purin-9-yl)oxolan-3-yl]acetamide (CID 135493687) is N-[2-(1-hydroxyethyl)-5-(6-oxo-1H-purin-9-yl)oxolan-3-yl]acetamide.
What is the SMILES notation for N-[2-(1-hydroxyethyl)-5-(6-oxo-1H-purin-9-yl)oxolan-3-yl]acetamide?
The canonical SMILES for N-[2-(1-hydroxyethyl)-5-(6-oxo-1H-purin-9-yl)oxolan-3-yl]acetamide is CC(=O)NC1CC(n2cnc3c(=O)[nH]cnc32)OC1C(C)O.
What is the InChIKey of N-[2-(1-hydroxyethyl)-5-(6-oxo-1H-purin-9-yl)oxolan-3-yl]acetamide?
The InChIKey is YBXUVZCODIRMDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O4/c1-6(19)11-8(17-7(2)20)3-9(22-11)18-5-16-10-12(18)14-4-15-13(10)21/h4-6,8-9,11,19H,3H2,1-2H3,(H,17,20)(H,14,15,21).
What are the key properties of N-[2-(1-hydroxyethyl)-5-(6-oxo-1H-purin-9-yl)oxolan-3-yl]acetamide?
N-[2-(1-hydroxyethyl)-5-(6-oxo-1H-purin-9-yl)oxolan-3-yl]acetamide has a molecular weight of 307.31 g/mol, XLogP of -0.71, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-hydroxyethyl)-5-(6-oxo-1H-purin-9-yl)oxolan-3-yl]acetamide is sourced from PubChem (CID 135493687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).