1-(6-aminopurin-9-yl)propan-2-yloxymethyl-methylphosphinate

C10H15N5O3P- — CID 161403767

IUPAC1-(6-aminopurin-9-yl)propan-2-yloxymethyl-methylphosphinate
SMILESCC(Cn1cnc2c(N)ncnc21)OCP(C)(=O)[O-]
InChIInChI=1S/C10H16N5O3P/c1-7(18-6-19(2,16)17)3-15-5-14-8-9(11)12-4-13-10(8)15/h4-5,7H,3,6H2,1-2H3,(H,16,17)(H2,11,12,13)/p-1
InChIKeyVUOMMTXOCLWPLA-UHFFFAOYSA-M
MW284.24 g/mol
LogP0.04
Rot. Bonds5

About 1-(6-aminopurin-9-yl)propan-2-yloxymethyl-methylphosphinate

1-(6-aminopurin-9-yl)propan-2-yloxymethyl-methylphosphinate (PubChem CID 161403767) has the molecular formula C10H15N5O3P- and a molecular weight of 284.24 g/mol. Its IUPAC name is 1-(6-aminopurin-9-yl)propan-2-yloxymethyl-methylphosphinate.

Molecular Properties

Compound Name1-(6-aminopurin-9-yl)propan-2-yloxymethyl-methylphosphinate
PubChem CID161403767
Molecular FormulaC10H15N5O3P-
Molecular Weight284.24 g/mol
Exact Mass284.09
IUPAC Name1-(6-aminopurin-9-yl)propan-2-yloxymethyl-methylphosphinate
SMILESCC(Cn1cnc2c(N)ncnc21)OCP(C)(=O)[O-]
InChIInChI=1S/C10H16N5O3P/c1-7(18-6-19(2,16)17)3-15-5-14-8-9(11)12-4-13-10(8)15/h4-5,7H,3,6H2,1-2H3,(H,16,17)(H2,11,12,13)/p-1
InChIKeyVUOMMTXOCLWPLA-UHFFFAOYSA-M
XLogP0.04
TPSA118.98 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.24
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

1-(6-aminopurin-9-yl)propan-2-yloxymethyl-methylphosphinate;carbanylium
CID 160797854
[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-[[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-hydroxyphosphoryl]oxyphosphinic acid;azane
CID 175673398
[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethylphosphonic acid;oxalic acid
CID 56961670
bis([(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethylphosphonic acid);sulfuric acid
CID 174867396
9-[(2R)-2-[bis[(2-methylpropan-2-yl)oxy]phosphorylmethoxy]propyl]purin-6-amine
CID 172753915
[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-phosphonooxyphosphinic acid;azane
CID 171381468
[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethylphosphonic acid;N-propan-2-ylpropan-2-amine
CID 46183708
1-(6-aminopurin-9-yl)propan-2-yloxymethylphosphonic acid;tris((E)-but-2-enedioic acid)
CID 174054141
[1-(6-aminopurin-9-yl)propan-2-yloxymethyl-(2,2-dimethylpropanoyloxy)phosphoryl] 2,2-dimethylpropanoate
CID 102095743
[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-(ethoxymethoxy)phosphinic acid
CID 58115296
lithium [(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-[[(2S)-1-oxo-1-propan-2-yloxypropan-2-yl]amino]phosphinate
CID 175674530
[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-(3-hexadecylsulfanylpropoxy)phosphinate
CID 165160412

Frequently Asked Questions

What is the IUPAC name of 1-(6-aminopurin-9-yl)propan-2-yloxymethyl-methylphosphinate?
The IUPAC name of 1-(6-aminopurin-9-yl)propan-2-yloxymethyl-methylphosphinate (CID 161403767) is 1-(6-aminopurin-9-yl)propan-2-yloxymethyl-methylphosphinate.
What is the SMILES notation for 1-(6-aminopurin-9-yl)propan-2-yloxymethyl-methylphosphinate?
The canonical SMILES for 1-(6-aminopurin-9-yl)propan-2-yloxymethyl-methylphosphinate is CC(Cn1cnc2c(N)ncnc21)OCP(C)(=O)[O-].
What is the InChIKey of 1-(6-aminopurin-9-yl)propan-2-yloxymethyl-methylphosphinate?
The InChIKey is VUOMMTXOCLWPLA-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H16N5O3P/c1-7(18-6-19(2,16)17)3-15-5-14-8-9(11)12-4-13-10(8)15/h4-5,7H,3,6H2,1-2H3,(H,16,17)(H2,11,12,13)/p-1.
What are the key properties of 1-(6-aminopurin-9-yl)propan-2-yloxymethyl-methylphosphinate?
1-(6-aminopurin-9-yl)propan-2-yloxymethyl-methylphosphinate has a molecular weight of 284.24 g/mol, XLogP of 0.04, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-aminopurin-9-yl)propan-2-yloxymethyl-methylphosphinate is sourced from PubChem (CID 161403767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).