9-[2-[[decoxy(methoxy)phosphoryl]methoxy]ethyl]purin-6-amine

C19H34N5O4P — CID 142409966

IUPAC9-[2-[[decoxy(methoxy)phosphoryl]methoxy]ethyl]purin-6-amine
SMILESCCCCCCCCCCOP(=O)(COCCn1cnc2c(N)ncnc21)OC
InChIInChI=1S/C19H34N5O4P/c1-3-4-5-6-7-8-9-10-12-28-29(25,26-2)16-27-13-11-24-15-23-17-18(20)21-14-22-19(17)24/h14-15H,3-13,16H2,1-2H3,(H2,20,21,22)
InChIKeyGREWICSEVICIIW-UHFFFAOYSA-N
MW427.49 g/mol
LogP4.38
Rot. Bonds16

About 9-[2-[[decoxy(methoxy)phosphoryl]methoxy]ethyl]purin-6-amine

9-[2-[[decoxy(methoxy)phosphoryl]methoxy]ethyl]purin-6-amine (PubChem CID 142409966) has the molecular formula C19H34N5O4P and a molecular weight of 427.49 g/mol. Its IUPAC name is 9-[2-[[decoxy(methoxy)phosphoryl]methoxy]ethyl]purin-6-amine.

Molecular Properties

Compound Name9-[2-[[decoxy(methoxy)phosphoryl]methoxy]ethyl]purin-6-amine
PubChem CID142409966
Molecular FormulaC19H34N5O4P
Molecular Weight427.49 g/mol
Exact Mass427.23
IUPAC Name9-[2-[[decoxy(methoxy)phosphoryl]methoxy]ethyl]purin-6-amine
SMILESCCCCCCCCCCOP(=O)(COCCn1cnc2c(N)ncnc21)OC
InChIInChI=1S/C19H34N5O4P/c1-3-4-5-6-7-8-9-10-12-28-29(25,26-2)16-27-13-11-24-15-23-17-18(20)21-14-22-19(17)24/h14-15H,3-13,16H2,1-2H3,(H2,20,21,22)
InChIKeyGREWICSEVICIIW-UHFFFAOYSA-N
XLogP4.38
TPSA114.38 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds16
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.49
LogP ≤ 54.38
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-[[decoxy(methoxy)phosphoryl]methoxy]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

9-[2-[[methoxy(phenoxy)phosphoryl]methoxy]ethyl]purin-6-amine
CID 134309612
9-nonylpurin-6-amine
CID 3816519
[2-(6-aminopurin-9-yl)ethoxymethyl-(2,2-dimethylpropanoyloxymethoxy)phosphoryl]oxymethyl 2,2-dimethylpropanoate
CID 22027841
9-[2-[bis(phenylmethoxy)phosphorylmethoxy]ethyl]purin-6-amine
CID 10389201
sodium;2-(6-aminopurin-9-yl)ethoxymethylphosphonic acid;hydride
CID 175088142
9-[2-[2-(6-aminopurin-9-yl)ethoxy-methylphosphoryl]oxyethyl]purin-6-amine
CID 175273885
bis([2-(6-aminopurin-9-yl)ethoxymethyl-(2,2-dimethylpropanoyloxymethoxy)phosphoryl]oxymethyl 2,2-dimethylpropanoate);decanedioic acid
CID 57381205
9-[(2S)-2-[[ethoxy(2-octadecoxyethoxy)phosphoryl]methoxy]-3-methoxypropyl]purin-6-amine
CID 90429197
2-(6-aminopurin-9-yl)ethoxymethyl-octadecanoyloxyphosphinous acid
CID 135302954
9-[2-[bis(2-ethoxyphenoxy)phosphorylmethoxy]ethyl]purin-6-amine;phosphoric acid
CID 70674498
9-[(2R)-2-[[octadecoxy(phenoxy)phosphoryl]methoxy]propyl]purin-6-amine
CID 176959248
9-[2-(dioxidophosphinothioylmethoxy)ethyl]purin-6-amine
CID 59288010

Frequently Asked Questions

What is the IUPAC name of 9-[2-[[decoxy(methoxy)phosphoryl]methoxy]ethyl]purin-6-amine?
The IUPAC name of 9-[2-[[decoxy(methoxy)phosphoryl]methoxy]ethyl]purin-6-amine (CID 142409966) is 9-[2-[[decoxy(methoxy)phosphoryl]methoxy]ethyl]purin-6-amine.
What is the SMILES notation for 9-[2-[[decoxy(methoxy)phosphoryl]methoxy]ethyl]purin-6-amine?
The canonical SMILES for 9-[2-[[decoxy(methoxy)phosphoryl]methoxy]ethyl]purin-6-amine is CCCCCCCCCCOP(=O)(COCCn1cnc2c(N)ncnc21)OC.
What is the InChIKey of 9-[2-[[decoxy(methoxy)phosphoryl]methoxy]ethyl]purin-6-amine?
The InChIKey is GREWICSEVICIIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N5O4P/c1-3-4-5-6-7-8-9-10-12-28-29(25,26-2)16-27-13-11-24-15-23-17-18(20)21-14-22-19(17)24/h14-15H,3-13,16H2,1-2H3,(H2,20,21,22).
What are the key properties of 9-[2-[[decoxy(methoxy)phosphoryl]methoxy]ethyl]purin-6-amine?
9-[2-[[decoxy(methoxy)phosphoryl]methoxy]ethyl]purin-6-amine has a molecular weight of 427.49 g/mol, XLogP of 4.38, 16 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-[[decoxy(methoxy)phosphoryl]methoxy]ethyl]purin-6-amine is sourced from PubChem (CID 142409966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).