N-[9-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]purin-6-yl]acetamide

C13H17N5O5 — CID 177270494

IUPACN-[9-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]purin-6-yl]acetamide
SMILESCO[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(NC(C)=O)ncnc21
InChIInChI=1S/C13H17N5O5/c1-6(20)17-11-8-12(15-4-14-11)18(5-16-8)13-10(22-2)9(21)7(3-19)23-13/h4-5,7,9-10,13,19,21H,3H2,1-2H3,(H,14,15,17,20)/t7-,9-,10-,13-/m1/s1
InChIKeyLRNKHBLFNPJISB-QYVSTXNMSA-N
MW323.31 g/mol
LogP-0.95
Rot. Bonds4

About N-[9-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]purin-6-yl]acetamide

N-[9-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]purin-6-yl]acetamide (PubChem CID 177270494) has the molecular formula C13H17N5O5 and a molecular weight of 323.31 g/mol. Its IUPAC name is N-[9-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]purin-6-yl]acetamide.

Molecular Properties

Compound NameN-[9-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]purin-6-yl]acetamide
PubChem CID177270494
Molecular FormulaC13H17N5O5
Molecular Weight323.31 g/mol
Exact Mass323.12
IUPAC NameN-[9-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]purin-6-yl]acetamide
SMILESCO[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(NC(C)=O)ncnc21
InChIInChI=1S/C13H17N5O5/c1-6(20)17-11-8-12(15-4-14-11)18(5-16-8)13-10(22-2)9(21)7(3-19)23-13/h4-5,7,9-10,13,19,21H,3H2,1-2H3,(H,14,15,17,20)/t7-,9-,10-,13-/m1/s1
InChIKeyLRNKHBLFNPJISB-QYVSTXNMSA-N
XLogP-0.95
TPSA131.62 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.31
LogP ≤ 5-0.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze N-[9-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]purin-6-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[9-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]purin-6-yl]benzamide
CID 67084775
N-[9-[(4S)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]purin-6-yl]benzamide
CID 171699416
bis((2R,3R,4R,5R)-5-[6-(cyclohexylamino)purin-9-yl]-2-(hydroxymethyl)-4-methoxyoxolan-3-ol);trihydrate
CID 71351377
(2R,3R,4R,5R)-5-[6-(4-chloroanilino)purin-9-yl]-2-(hydroxymethyl)-4-methoxyoxolan-3-ol
CID 15051918
[(2R,3R,4R,5R)-2-[6-(carbamoylamino)purin-9-yl]-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] carbamate
CID 154418775
N-[2-[[(2R,3R,4S,5R)-2-(6-acetamidopurin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]oxymethoxy]ethyl]-2,2,2-trifluoroacetamide
CID 170318631
2-(4-nitrophenyl)ethyl N-[9-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]purin-6-yl]carbamate
CID 15333736
[(2R,3S,4R,5R)-5-(6-acetamidopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl acetate
CID 23278063
[(2S,5R)-5-(6-acetamidopurin-9-yl)-4-acetyloxy-2-(sulfanylmethyl)oxolan-3-yl] acetate
CID 57153738
[(2R,4S,5R)-2-(6-acetamidopurin-9-yl)-4-fluoro-5-(hydroxymethyl)oxolan-3-yl] 4-oxopentanoate
CID 157334297
(2R,5R)-5-[6-[(9-hydroxyfluoren-9-yl)methylamino]purin-9-yl]-2-(hydroxymethyl)-4-methoxyoxolan-3-ol
CID 67831742
(2R,3S,4S,5R,6R,7R)-7-(6-aminopurin-9-yl)-2-(hydroxymethyl)-6-methoxyoxepane-3,4,5-triol
CID 58940512

Frequently Asked Questions

What is the IUPAC name of N-[9-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]purin-6-yl]acetamide?
The IUPAC name of N-[9-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]purin-6-yl]acetamide (CID 177270494) is N-[9-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]purin-6-yl]acetamide.
What is the SMILES notation for N-[9-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]purin-6-yl]acetamide?
The canonical SMILES for N-[9-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]purin-6-yl]acetamide is CO[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(NC(C)=O)ncnc21.
What is the InChIKey of N-[9-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]purin-6-yl]acetamide?
The InChIKey is LRNKHBLFNPJISB-QYVSTXNMSA-N. The full InChI is InChI=1S/C13H17N5O5/c1-6(20)17-11-8-12(15-4-14-11)18(5-16-8)13-10(22-2)9(21)7(3-19)23-13/h4-5,7,9-10,13,19,21H,3H2,1-2H3,(H,14,15,17,20)/t7-,9-,10-,13-/m1/s1.
What are the key properties of N-[9-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]purin-6-yl]acetamide?
N-[9-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]purin-6-yl]acetamide has a molecular weight of 323.31 g/mol, XLogP of -0.95, 4 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[9-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]purin-6-yl]acetamide is sourced from PubChem (CID 177270494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).