9-[2-(2-hydroxy-2-oxo-1,3,2λ5-dioxaphosphinan-5-yl)ethyl]purin-2-amine

C10H14N5O4P — CID 14541170

IUPAC9-[2-(2-hydroxy-2-oxo-1,3,2λ5-dioxaphosphinan-5-yl)ethyl]purin-2-amine
SMILESNc1ncc2ncn(CCC3COP(=O)(O)OC3)c2n1
InChIInChI=1S/C10H14N5O4P/c11-10-12-3-8-9(14-10)15(6-13-8)2-1-7-4-18-20(16,17)19-5-7/h3,6-7H,1-2,4-5H2,(H,16,17)(H2,11,12,14)
InChIKeyVFDHNXZDDAVTQW-UHFFFAOYSA-N
MW299.23 g/mol
LogP0.56
Rot. Bonds3

About 9-[2-(2-hydroxy-2-oxo-1,3,2λ5-dioxaphosphinan-5-yl)ethyl]purin-2-amine

9-[2-(2-hydroxy-2-oxo-1,3,2λ5-dioxaphosphinan-5-yl)ethyl]purin-2-amine (PubChem CID 14541170) has the molecular formula C10H14N5O4P and a molecular weight of 299.23 g/mol. Its IUPAC name is 9-[2-(2-hydroxy-2-oxo-1,3,2λ5-dioxaphosphinan-5-yl)ethyl]purin-2-amine.

Molecular Properties

Compound Name9-[2-(2-hydroxy-2-oxo-1,3,2λ5-dioxaphosphinan-5-yl)ethyl]purin-2-amine
PubChem CID14541170
Molecular FormulaC10H14N5O4P
Molecular Weight299.23 g/mol
Exact Mass299.08
IUPAC Name9-[2-(2-hydroxy-2-oxo-1,3,2λ5-dioxaphosphinan-5-yl)ethyl]purin-2-amine
SMILESNc1ncc2ncn(CCC3COP(=O)(O)OC3)c2n1
InChIInChI=1S/C10H14N5O4P/c11-10-12-3-8-9(14-10)15(6-13-8)2-1-7-4-18-20(16,17)19-5-7/h3,6-7H,1-2,4-5H2,(H,16,17)(H2,11,12,14)
InChIKeyVFDHNXZDDAVTQW-UHFFFAOYSA-N
XLogP0.56
TPSA125.38 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.23
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 9-[2-(2-hydroxy-2-oxo-1,3,2λ5-dioxaphosphinan-5-yl)ethyl]purin-2-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

Famciclovir
CID 3324
6-Deoxypenciclovir
CID 128517
Besifovir
CID 5270766
[2-(Purin-9-yl)ethyl]-bisphosphonic acid
CID 25140171
Desacetyl Famciclovir
CID 10039252
Detiviciclovir
CID 3025970
4-(2-Aminopurin-9-yl)-2-(propanoyloxymethyl)butyl propanoate
CID 480269
4Pgg7G4ezt
CID 9955181
9-(2-(2,2-Dimethyl-1,3-dioxan-5-yl)ethyl)-9H-purin-2-amine
CID 10956797
2-Amino-9-(3-hydroxymethyl-4-methoxycarbonyloxybut-1-yl)purine
CID 13883192
[4-(2-Aminopurin-9-yl)-2-(hydroxymethyl)butyl] dihydrogen phosphate
CID 14541169
Phosphoric acid mono-[4-(6-methylamino-purin-9-yl)-2-phosphonooxymethyl-butyl] ester
CID 10319421

Frequently Asked Questions

What is the IUPAC name of 9-[2-(2-hydroxy-2-oxo-1,3,2λ5-dioxaphosphinan-5-yl)ethyl]purin-2-amine?
The IUPAC name of 9-[2-(2-hydroxy-2-oxo-1,3,2λ5-dioxaphosphinan-5-yl)ethyl]purin-2-amine (CID 14541170) is 9-[2-(2-hydroxy-2-oxo-1,3,2λ5-dioxaphosphinan-5-yl)ethyl]purin-2-amine.
What is the SMILES notation for 9-[2-(2-hydroxy-2-oxo-1,3,2λ5-dioxaphosphinan-5-yl)ethyl]purin-2-amine?
The canonical SMILES for 9-[2-(2-hydroxy-2-oxo-1,3,2λ5-dioxaphosphinan-5-yl)ethyl]purin-2-amine is Nc1ncc2ncn(CCC3COP(=O)(O)OC3)c2n1.
What is the InChIKey of 9-[2-(2-hydroxy-2-oxo-1,3,2λ5-dioxaphosphinan-5-yl)ethyl]purin-2-amine?
The InChIKey is VFDHNXZDDAVTQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N5O4P/c11-10-12-3-8-9(14-10)15(6-13-8)2-1-7-4-18-20(16,17)19-5-7/h3,6-7H,1-2,4-5H2,(H,16,17)(H2,11,12,14).
What are the key properties of 9-[2-(2-hydroxy-2-oxo-1,3,2λ5-dioxaphosphinan-5-yl)ethyl]purin-2-amine?
9-[2-(2-hydroxy-2-oxo-1,3,2λ5-dioxaphosphinan-5-yl)ethyl]purin-2-amine has a molecular weight of 299.23 g/mol, XLogP of 0.56, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-(2-hydroxy-2-oxo-1,3,2λ5-dioxaphosphinan-5-yl)ethyl]purin-2-amine is sourced from PubChem (CID 14541170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).