9-[2-[bis(phenylmethoxy)phosphorylmethoxy]ethyl]purin-6-amine

C22H24N5O4P — CID 10389201

IUPAC9-[2-[bis(phenylmethoxy)phosphorylmethoxy]ethyl]purin-6-amine
SMILESNc1ncnc2c1ncn2CCOCP(=O)(OCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C22H24N5O4P/c23-21-20-22(25-15-24-21)27(16-26-20)11-12-29-17-32(28,30-13-18-7-3-1-4-8-18)31-14-19-9-5-2-6-10-19/h1-10,15-16H,11-14,17H2,(H2,23,24,25)
InChIKeyKQNUEMYJDNIOKC-UHFFFAOYSA-N
MW453.44 g/mol
LogP4.01
Rot. Bonds11

About 9-[2-[bis(phenylmethoxy)phosphorylmethoxy]ethyl]purin-6-amine

9-[2-[bis(phenylmethoxy)phosphorylmethoxy]ethyl]purin-6-amine (PubChem CID 10389201) has the molecular formula C22H24N5O4P and a molecular weight of 453.44 g/mol. Its IUPAC name is 9-[2-[bis(phenylmethoxy)phosphorylmethoxy]ethyl]purin-6-amine.

Molecular Properties

Compound Name9-[2-[bis(phenylmethoxy)phosphorylmethoxy]ethyl]purin-6-amine
PubChem CID10389201
Molecular FormulaC22H24N5O4P
Molecular Weight453.44 g/mol
Exact Mass453.16
IUPAC Name9-[2-[bis(phenylmethoxy)phosphorylmethoxy]ethyl]purin-6-amine
SMILESNc1ncnc2c1ncn2CCOCP(=O)(OCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C22H24N5O4P/c23-21-20-22(25-15-24-21)27(16-26-20)11-12-29-17-32(28,30-13-18-7-3-1-4-8-18)31-14-19-9-5-2-6-10-19/h1-10,15-16H,11-14,17H2,(H2,23,24,25)
InChIKeyKQNUEMYJDNIOKC-UHFFFAOYSA-N
XLogP4.01
TPSA114.38 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.44
LogP ≤ 54.01
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'}

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Related Compounds

[2-(6-aminopurin-9-yl)ethoxymethyl-(phenylmethoxycarbonyloxymethoxy)phosphoryl]oxymethyl benzyl carbonate
CID 24779748
[[(2S)-2-amino-3-phenylpropanoyl]oxymethoxy-[2-(6-aminopurin-9-yl)ethoxymethyl]phosphoryl]oxymethyl (2S)-2-amino-3-phenylpropanoate;hydrochloride
CID 45265908
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
sodium;2-(6-aminopurin-9-yl)ethoxymethylphosphonic acid;hydride
CID 175088142
9-[2-[bis(2-ethoxyphenoxy)phosphorylmethoxy]ethyl]purin-6-amine;phosphoric acid
CID 70674498
2-(2-amino-6-methoxypurin-9-yl)ethoxymethyl-methylphosphinic acid;9-[2-[bis(phenylmethoxy)phosphorylmethoxy]ethyl]-6-methoxypurin-2-amine
CID 160868861
3-(6-aminopurin-9-yl)-2-[[(3-hydroxy-2-phenylmethoxypropoxy)-phenylmethoxyphosphoryl]methoxy]propan-1-ol
CID 90429458
9-[2-[[decoxy(methoxy)phosphoryl]methoxy]ethyl]purin-6-amine
CID 142409966
2-(6-aminopurin-9-yl)ethoxymethyl-[oxido(phosphonatooxy)phosphoryl]oxyphosphinate
CID 44581912
9-[2-(dioxidophosphinothioylmethoxy)ethyl]purin-6-amine
CID 59288010
9-[2-(dihydroxyphosphinothioylmethoxy)ethyl]purin-6-amine
CID 54577179

Frequently Asked Questions

What is the IUPAC name of 9-[2-[bis(phenylmethoxy)phosphorylmethoxy]ethyl]purin-6-amine?
The IUPAC name of 9-[2-[bis(phenylmethoxy)phosphorylmethoxy]ethyl]purin-6-amine (CID 10389201) is 9-[2-[bis(phenylmethoxy)phosphorylmethoxy]ethyl]purin-6-amine.
What is the SMILES notation for 9-[2-[bis(phenylmethoxy)phosphorylmethoxy]ethyl]purin-6-amine?
The canonical SMILES for 9-[2-[bis(phenylmethoxy)phosphorylmethoxy]ethyl]purin-6-amine is Nc1ncnc2c1ncn2CCOCP(=O)(OCc1ccccc1)OCc1ccccc1.
What is the InChIKey of 9-[2-[bis(phenylmethoxy)phosphorylmethoxy]ethyl]purin-6-amine?
The InChIKey is KQNUEMYJDNIOKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N5O4P/c23-21-20-22(25-15-24-21)27(16-26-20)11-12-29-17-32(28,30-13-18-7-3-1-4-8-18)31-14-19-9-5-2-6-10-19/h1-10,15-16H,11-14,17H2,(H2,23,24,25).
What are the key properties of 9-[2-[bis(phenylmethoxy)phosphorylmethoxy]ethyl]purin-6-amine?
9-[2-[bis(phenylmethoxy)phosphorylmethoxy]ethyl]purin-6-amine has a molecular weight of 453.44 g/mol, XLogP of 4.01, 11 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-[bis(phenylmethoxy)phosphorylmethoxy]ethyl]purin-6-amine is sourced from PubChem (CID 10389201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).