9-[2-[2-(6-aminopurin-9-yl)ethoxy-methylphosphoryl]oxyethyl]purin-6-amine

C15H19N10O3P — CID 175273885

IUPAC9-[2-[2-(6-aminopurin-9-yl)ethoxy-methylphosphoryl]oxyethyl]purin-6-amine
SMILESCP(=O)(OCCn1cnc2c(N)ncnc21)OCCn1cnc2c(N)ncnc21
InChIInChI=1S/C15H19N10O3P/c1-29(26,27-4-2-24-8-22-10-12(16)18-6-20-14(10)24)28-5-3-25-9-23-11-13(17)19-7-21-15(11)25/h6-9H,2-5H2,1H3,(H2,16,18,20)(H2,17,19,21)
InChIKeyAOSWIRFZAPYNQX-UHFFFAOYSA-N
MW418.36 g/mol
LogP0.69
Rot. Bonds8

About 9-[2-[2-(6-aminopurin-9-yl)ethoxy-methylphosphoryl]oxyethyl]purin-6-amine

9-[2-[2-(6-aminopurin-9-yl)ethoxy-methylphosphoryl]oxyethyl]purin-6-amine (PubChem CID 175273885) has the molecular formula C15H19N10O3P and a molecular weight of 418.36 g/mol. Its IUPAC name is 9-[2-[2-(6-aminopurin-9-yl)ethoxy-methylphosphoryl]oxyethyl]purin-6-amine.

Molecular Properties

Compound Name9-[2-[2-(6-aminopurin-9-yl)ethoxy-methylphosphoryl]oxyethyl]purin-6-amine
PubChem CID175273885
Molecular FormulaC15H19N10O3P
Molecular Weight418.36 g/mol
Exact Mass418.14
IUPAC Name9-[2-[2-(6-aminopurin-9-yl)ethoxy-methylphosphoryl]oxyethyl]purin-6-amine
SMILESCP(=O)(OCCn1cnc2c(N)ncnc21)OCCn1cnc2c(N)ncnc21
InChIInChI=1S/C15H19N10O3P/c1-29(26,27-4-2-24-8-22-10-12(16)18-6-20-14(10)24)28-5-3-25-9-23-11-13(17)19-7-21-15(11)25/h6-9H,2-5H2,1H3,(H2,16,18,20)(H2,17,19,21)
InChIKeyAOSWIRFZAPYNQX-UHFFFAOYSA-N
XLogP0.69
TPSA174.77 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.36
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(6-aminopurin-9-yl)ethoxy]ethylphosphonic acid
CID 513622
sodium;2-(6-aminopurin-9-yl)ethoxymethylphosphonic acid;hydride
CID 175088142
9-[2-(2-phosphanylethoxy)ethyl]purin-6-amine
CID 151693053
9-[2-[2-(dimethylamino)ethoxy]ethyl]purin-6-amine
CID 15334366
[2-(6-aminopurin-9-yl)ethoxymethyl-(2,2-dimethylpropanoyloxymethoxy)phosphoryl]oxymethyl 2,2-dimethylpropanoate
CID 22027841
9-[2-(diethoxyphosphorylmethylsulfanyl)ethyl]purin-6-amine
CID 10088910
9-[2-(dioxidophosphinothioylmethoxy)ethyl]purin-6-amine
CID 59288010
9-[2-(dihydroxyphosphinothioylmethoxy)ethyl]purin-6-amine
CID 54577179
9-[2-(4-ethoxyphenoxy)ethyl]purin-6-amine;hydrochloride
CID 126459868
9-[2-[[decoxy(methoxy)phosphoryl]methoxy]ethyl]purin-6-amine
CID 142409966
9-[2-[bis(phenylmethoxy)phosphorylmethoxy]ethyl]purin-6-amine
CID 10389201
[3-[2-(6-aminopurin-9-yl)ethoxy]-1,1,1,5,5,5-hexafluoropentan-3-yl]phosphonic acid
CID 19349735

Frequently Asked Questions

What is the IUPAC name of 9-[2-[2-(6-aminopurin-9-yl)ethoxy-methylphosphoryl]oxyethyl]purin-6-amine?
The IUPAC name of 9-[2-[2-(6-aminopurin-9-yl)ethoxy-methylphosphoryl]oxyethyl]purin-6-amine (CID 175273885) is 9-[2-[2-(6-aminopurin-9-yl)ethoxy-methylphosphoryl]oxyethyl]purin-6-amine.
What is the SMILES notation for 9-[2-[2-(6-aminopurin-9-yl)ethoxy-methylphosphoryl]oxyethyl]purin-6-amine?
The canonical SMILES for 9-[2-[2-(6-aminopurin-9-yl)ethoxy-methylphosphoryl]oxyethyl]purin-6-amine is CP(=O)(OCCn1cnc2c(N)ncnc21)OCCn1cnc2c(N)ncnc21.
What is the InChIKey of 9-[2-[2-(6-aminopurin-9-yl)ethoxy-methylphosphoryl]oxyethyl]purin-6-amine?
The InChIKey is AOSWIRFZAPYNQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N10O3P/c1-29(26,27-4-2-24-8-22-10-12(16)18-6-20-14(10)24)28-5-3-25-9-23-11-13(17)19-7-21-15(11)25/h6-9H,2-5H2,1H3,(H2,16,18,20)(H2,17,19,21).
What are the key properties of 9-[2-[2-(6-aminopurin-9-yl)ethoxy-methylphosphoryl]oxyethyl]purin-6-amine?
9-[2-[2-(6-aminopurin-9-yl)ethoxy-methylphosphoryl]oxyethyl]purin-6-amine has a molecular weight of 418.36 g/mol, XLogP of 0.69, 8 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-[2-(6-aminopurin-9-yl)ethoxy-methylphosphoryl]oxyethyl]purin-6-amine is sourced from PubChem (CID 175273885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).