9-[3-amino-4-methoxy-5-(nitrosomethyl)oxolan-2-yl]purin-6-amine

C11H15N7O3 — CID 166980118

IUPAC9-[3-amino-4-methoxy-5-(nitrosomethyl)oxolan-2-yl]purin-6-amine
SMILESCOC1C(CN=O)OC(n2cnc3c(N)ncnc32)C1N
InChIInChI=1S/C11H15N7O3/c1-20-8-5(2-17-19)21-11(6(8)12)18-4-16-7-9(13)14-3-15-10(7)18/h3-6,8,11H,2,12H2,1H3,(H2,13,14,15)
InChIKeyYRRDZIIBFKRGPV-UHFFFAOYSA-N
MW293.29 g/mol
LogP-0.59
Rot. Bonds4

About 9-[3-amino-4-methoxy-5-(nitrosomethyl)oxolan-2-yl]purin-6-amine

9-[3-amino-4-methoxy-5-(nitrosomethyl)oxolan-2-yl]purin-6-amine (PubChem CID 166980118) has the molecular formula C11H15N7O3 and a molecular weight of 293.29 g/mol. Its IUPAC name is 9-[3-amino-4-methoxy-5-(nitrosomethyl)oxolan-2-yl]purin-6-amine.

Molecular Properties

Compound Name9-[3-amino-4-methoxy-5-(nitrosomethyl)oxolan-2-yl]purin-6-amine
PubChem CID166980118
Molecular FormulaC11H15N7O3
Molecular Weight293.29 g/mol
Exact Mass293.12
IUPAC Name9-[3-amino-4-methoxy-5-(nitrosomethyl)oxolan-2-yl]purin-6-amine
SMILESCOC1C(CN=O)OC(n2cnc3c(N)ncnc32)C1N
InChIInChI=1S/C11H15N7O3/c1-20-8-5(2-17-19)21-11(6(8)12)18-4-16-7-9(13)14-3-15-10(7)18/h3-6,8,11H,2,12H2,1H3,(H2,13,14,15)
InChIKeyYRRDZIIBFKRGPV-UHFFFAOYSA-N
XLogP-0.59
TPSA143.53 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.29
LogP ≤ 5-0.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 9-[3-amino-4-methoxy-5-(nitrosomethyl)oxolan-2-yl]purin-6-amine 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

[[(2R,3S,4R,5R)-4-amino-5-(6-aminopurin-9-yl)-3-methoxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
CID 87194317
9-[(2R,3R,4R,5R)-3,4-dimethoxy-5-(methoxymethyl)oxolan-2-yl]purin-6-amine
CID 56634843
[(2R,3R,4S,5R)-5-(6-aminopurin-9-yl)-3,4-dimethoxyoxolan-2-yl]methanol
CID 6481828
(2R,3S,4S,5R,6R,7R)-7-(6-aminopurin-9-yl)-2-(hydroxymethyl)-6-methoxyoxepane-3,4,5-triol
CID 58940512
(2R,3S,5R)-2-(6-aminopurin-9-yl)-4-methoxy-5-(methoxymethyl)oxolan-3-ol
CID 58319615
5-(6-aminopurin-9-yl)-4-methoxy-2-(methoxymethyl)oxolan-3-ol
CID 19076332
9-[4-methoxy-3-(2-methoxyethoxy)-5-(methoxymethyl)oxolan-2-yl]purin-6-amine
CID 76759659
[5-(6-aminopurin-9-yl)-2-(hydroxymethyl)-4-methoxyoxolan-3-yl]oxy-oxo-sulfanylphosphanium
CID 135178523
[(2R,4S,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-methoxyoxolan-2-yl]methyl dihydrogen phosphate
CID 172638487
(2R,5S)-2-(6-aminopurin-9-yl)-5-methoxyoxolane-3,4-diol
CID 67588399
9-[(2R,5R)-3-methoxy-4-[(2-methylpropan-2-yl)oxy]-5-[(2-methylpropan-2-yl)oxymethyl]oxolan-2-yl]purin-6-amine
CID 174086586
[[(2R,3S,4R,5R)-4-amino-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]methylphosphonic acid
CID 155537251

Frequently Asked Questions

What is the IUPAC name of 9-[3-amino-4-methoxy-5-(nitrosomethyl)oxolan-2-yl]purin-6-amine?
The IUPAC name of 9-[3-amino-4-methoxy-5-(nitrosomethyl)oxolan-2-yl]purin-6-amine (CID 166980118) is 9-[3-amino-4-methoxy-5-(nitrosomethyl)oxolan-2-yl]purin-6-amine.
What is the SMILES notation for 9-[3-amino-4-methoxy-5-(nitrosomethyl)oxolan-2-yl]purin-6-amine?
The canonical SMILES for 9-[3-amino-4-methoxy-5-(nitrosomethyl)oxolan-2-yl]purin-6-amine is COC1C(CN=O)OC(n2cnc3c(N)ncnc32)C1N.
What is the InChIKey of 9-[3-amino-4-methoxy-5-(nitrosomethyl)oxolan-2-yl]purin-6-amine?
The InChIKey is YRRDZIIBFKRGPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N7O3/c1-20-8-5(2-17-19)21-11(6(8)12)18-4-16-7-9(13)14-3-15-10(7)18/h3-6,8,11H,2,12H2,1H3,(H2,13,14,15).
What are the key properties of 9-[3-amino-4-methoxy-5-(nitrosomethyl)oxolan-2-yl]purin-6-amine?
9-[3-amino-4-methoxy-5-(nitrosomethyl)oxolan-2-yl]purin-6-amine has a molecular weight of 293.29 g/mol, XLogP of -0.59, 4 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-amino-4-methoxy-5-(nitrosomethyl)oxolan-2-yl]purin-6-amine is sourced from PubChem (CID 166980118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).