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

C15H18N5O4P — CID 134309612

IUPAC9-[2-[[methoxy(phenoxy)phosphoryl]methoxy]ethyl]purin-6-amine
SMILESCOP(=O)(COCCn1cnc2c(N)ncnc21)Oc1ccccc1
InChIInChI=1S/C15H18N5O4P/c1-22-25(21,24-12-5-3-2-4-6-12)11-23-8-7-20-10-19-13-14(16)17-9-18-15(13)20/h2-6,9-10H,7-8,11H2,1H3,(H2,16,17,18)
InChIKeyBKGUCJIHEKRQLZ-UHFFFAOYSA-N
MW363.31 g/mol
LogP2.30
Rot. Bonds8

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

9-[2-[[methoxy(phenoxy)phosphoryl]methoxy]ethyl]purin-6-amine (PubChem CID 134309612) has the molecular formula C15H18N5O4P and a molecular weight of 363.31 g/mol. Its IUPAC name is 9-[2-[[methoxy(phenoxy)phosphoryl]methoxy]ethyl]purin-6-amine.

Molecular Properties

Compound Name9-[2-[[methoxy(phenoxy)phosphoryl]methoxy]ethyl]purin-6-amine
PubChem CID134309612
Molecular FormulaC15H18N5O4P
Molecular Weight363.31 g/mol
Exact Mass363.11
IUPAC Name9-[2-[[methoxy(phenoxy)phosphoryl]methoxy]ethyl]purin-6-amine
SMILESCOP(=O)(COCCn1cnc2c(N)ncnc21)Oc1ccccc1
InChIInChI=1S/C15H18N5O4P/c1-22-25(21,24-12-5-3-2-4-6-12)11-23-8-7-20-10-19-13-14(16)17-9-18-15(13)20/h2-6,9-10H,7-8,11H2,1H3,(H2,16,17,18)
InChIKeyBKGUCJIHEKRQLZ-UHFFFAOYSA-N
XLogP2.30
TPSA114.38 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.31
LogP ≤ 52.30
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-amino-9-[2-[[methoxy(phenoxy)phosphoryl]methoxy]ethyl]-1H-purin-6-one;9-[2-[[methoxy(phenoxy)phosphoryl]methoxy]ethyl]purin-6-amine;9-[2-[[methoxy(phenoxy)phosphoryl]methoxy]ethyl]purine-2,6-diamine
CID 161200030
9-[2-[bis(phenylmethoxy)phosphorylmethoxy]ethyl]purin-6-amine
CID 10389201
9-[2-[[decoxy(methoxy)phosphoryl]methoxy]ethyl]purin-6-amine
CID 142409966
9-[2-[bis(2-ethoxyphenoxy)phosphorylmethoxy]ethyl]purin-6-amine;phosphoric acid
CID 70674498
propan-2-yl 2-[[2-(6-aminopurin-9-yl)ethoxymethyl-phenoxyphosphoryl]amino]propanoate
CID 130441672
ethane;propan-2-yl 2-[[2-(6-aminopurin-9-yl)ethoxymethyl-phenoxyphosphoryl]amino]acetate
CID 166551600
9-[2-[bis(2,3-dihydro-1,4-benzodioxin-6-yloxy)phosphorylmethoxy]ethyl]purin-6-amine
CID 86291341
[2-(6-aminopurin-9-yl)ethoxymethyl-(phenylmethoxycarbonyloxymethoxy)phosphoryl]oxymethyl benzyl carbonate
CID 24779748
sodium;2-(6-aminopurin-9-yl)ethoxymethylphosphonic acid;hydride
CID 175088142
[[(2S)-2-amino-3-phenylpropanoyl]oxymethoxy-[2-(6-aminopurin-9-yl)ethoxymethyl]phosphoryl]oxymethyl (2S)-2-amino-3-phenylpropanoate;hydrochloride
CID 45265908
9-[2-[bis(2-ethoxyphenoxy)phosphorylmethoxy]ethyl]purin-6-amine;bis(2-hydroxybutanedioic acid)
CID 70674611
[2-(6-aminopurin-9-yl)ethoxymethyl-(2,2-dimethylpropanoyloxymethoxy)phosphoryl]oxymethyl 2,2-dimethylpropanoate
CID 22027841

Frequently Asked Questions

What is the IUPAC name of 9-[2-[[methoxy(phenoxy)phosphoryl]methoxy]ethyl]purin-6-amine?
The IUPAC name of 9-[2-[[methoxy(phenoxy)phosphoryl]methoxy]ethyl]purin-6-amine (CID 134309612) is 9-[2-[[methoxy(phenoxy)phosphoryl]methoxy]ethyl]purin-6-amine.
What is the SMILES notation for 9-[2-[[methoxy(phenoxy)phosphoryl]methoxy]ethyl]purin-6-amine?
The canonical SMILES for 9-[2-[[methoxy(phenoxy)phosphoryl]methoxy]ethyl]purin-6-amine is COP(=O)(COCCn1cnc2c(N)ncnc21)Oc1ccccc1.
What is the InChIKey of 9-[2-[[methoxy(phenoxy)phosphoryl]methoxy]ethyl]purin-6-amine?
The InChIKey is BKGUCJIHEKRQLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N5O4P/c1-22-25(21,24-12-5-3-2-4-6-12)11-23-8-7-20-10-19-13-14(16)17-9-18-15(13)20/h2-6,9-10H,7-8,11H2,1H3,(H2,16,17,18).
What are the key properties of 9-[2-[[methoxy(phenoxy)phosphoryl]methoxy]ethyl]purin-6-amine?
9-[2-[[methoxy(phenoxy)phosphoryl]methoxy]ethyl]purin-6-amine has a molecular weight of 363.31 g/mol, XLogP of 2.30, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-[[methoxy(phenoxy)phosphoryl]methoxy]ethyl]purin-6-amine is sourced from PubChem (CID 134309612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).