9-[2-(dioxidophosphinothioylmethoxy)ethyl]purin-6-amine

C8H10N5O3PS-2 — CID 59288010

IUPAC9-[2-(dioxidophosphinothioylmethoxy)ethyl]purin-6-amine
SMILESNc1ncnc2c1ncn2CCOCP([O-])([O-])=S
InChIInChI=1S/C8H12N5O3PS/c9-7-6-8(11-3-10-7)13(4-12-6)1-2-16-5-17(14,15)18/h3-4H,1-2,5H2,(H2,9,10,11)(H2,14,15,18)/p-2
InChIKeyHUXZXCILZRCOPF-UHFFFAOYSA-L
MW287.24 g/mol
LogP-1.59
Rot. Bonds5

About 9-[2-(dioxidophosphinothioylmethoxy)ethyl]purin-6-amine

9-[2-(dioxidophosphinothioylmethoxy)ethyl]purin-6-amine (PubChem CID 59288010) has the molecular formula C8H10N5O3PS-2 and a molecular weight of 287.24 g/mol. Its IUPAC name is 9-[2-(dioxidophosphinothioylmethoxy)ethyl]purin-6-amine.

Molecular Properties

Compound Name9-[2-(dioxidophosphinothioylmethoxy)ethyl]purin-6-amine
PubChem CID59288010
Molecular FormulaC8H10N5O3PS-2
Molecular Weight287.24 g/mol
Exact Mass287.03
IUPAC Name9-[2-(dioxidophosphinothioylmethoxy)ethyl]purin-6-amine
SMILESNc1ncnc2c1ncn2CCOCP([O-])([O-])=S
InChIInChI=1S/C8H12N5O3PS/c9-7-6-8(11-3-10-7)13(4-12-6)1-2-16-5-17(14,15)18/h3-4H,1-2,5H2,(H2,9,10,11)(H2,14,15,18)/p-2
InChIKeyHUXZXCILZRCOPF-UHFFFAOYSA-L
XLogP-1.59
TPSA124.97 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.24
LogP ≤ 5-1.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 9-[2-(dioxidophosphinothioylmethoxy)ethyl]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

disodium;9-[2-(dioxidophosphinothioylmethoxy)ethyl]purin-6-amine
CID 54771818
9-[2-(dihydroxyphosphinothioylmethoxy)ethyl]purin-6-amine
CID 54577179
2-(6-aminopurin-9-yl)ethoxymethyl-[oxido(phosphonatooxy)phosphoryl]oxyphosphinate
CID 44581912
sodium;2-(6-aminopurin-9-yl)ethoxymethylphosphonic acid;hydride
CID 175088142
9-[2-(2-phosphanylethoxy)ethyl]purin-6-amine
CID 151693053
2-[2-(6-aminopurin-9-yl)ethoxy]ethylphosphonic acid
CID 513622
9-[2-[2-(dimethylamino)ethoxy]ethyl]purin-6-amine
CID 15334366
9-[2-[bis(phenylmethoxy)phosphorylmethoxy]ethyl]purin-6-amine
CID 10389201
9-[2-[2-(6-aminopurin-9-yl)ethoxy-methylphosphoryl]oxyethyl]purin-6-amine
CID 175273885
9-[2-[[methoxy(phenoxy)phosphoryl]methoxy]ethyl]purin-6-amine
CID 134309612
[2-(6-aminopurin-9-yl)ethoxymethyl-(2,2-dimethylpropanoyloxymethoxy)phosphoryl]oxymethyl 2,2-dimethylpropanoate
CID 22027841
9-[2-[[decoxy(methoxy)phosphoryl]methoxy]ethyl]purin-6-amine
CID 142409966

Frequently Asked Questions

What is the IUPAC name of 9-[2-(dioxidophosphinothioylmethoxy)ethyl]purin-6-amine?
The IUPAC name of 9-[2-(dioxidophosphinothioylmethoxy)ethyl]purin-6-amine (CID 59288010) is 9-[2-(dioxidophosphinothioylmethoxy)ethyl]purin-6-amine.
What is the SMILES notation for 9-[2-(dioxidophosphinothioylmethoxy)ethyl]purin-6-amine?
The canonical SMILES for 9-[2-(dioxidophosphinothioylmethoxy)ethyl]purin-6-amine is Nc1ncnc2c1ncn2CCOCP([O-])([O-])=S.
What is the InChIKey of 9-[2-(dioxidophosphinothioylmethoxy)ethyl]purin-6-amine?
The InChIKey is HUXZXCILZRCOPF-UHFFFAOYSA-L. The full InChI is InChI=1S/C8H12N5O3PS/c9-7-6-8(11-3-10-7)13(4-12-6)1-2-16-5-17(14,15)18/h3-4H,1-2,5H2,(H2,9,10,11)(H2,14,15,18)/p-2.
What are the key properties of 9-[2-(dioxidophosphinothioylmethoxy)ethyl]purin-6-amine?
9-[2-(dioxidophosphinothioylmethoxy)ethyl]purin-6-amine has a molecular weight of 287.24 g/mol, XLogP of -1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-(dioxidophosphinothioylmethoxy)ethyl]purin-6-amine is sourced from PubChem (CID 59288010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).