9-[2-(methoxyphosphanylmethoxy)ethyl]purin-2-amine

C9H14N5O2P — CID 143852222

IUPAC9-[2-(methoxyphosphanylmethoxy)ethyl]purin-2-amine
SMILESCOPCOCCn1cnc2cnc(N)nc21
InChIInChI=1S/C9H14N5O2P/c1-15-17-6-16-3-2-14-5-12-7-4-11-9(10)13-8(7)14/h4-5,17H,2-3,6H2,1H3,(H2,10,11,13)
InChIKeyIMRIJKIUAFUUSA-UHFFFAOYSA-N
MW255.22 g/mol
LogP0.62
Rot. Bonds6

About 9-[2-(methoxyphosphanylmethoxy)ethyl]purin-2-amine

9-[2-(methoxyphosphanylmethoxy)ethyl]purin-2-amine (PubChem CID 143852222) has the molecular formula C9H14N5O2P and a molecular weight of 255.22 g/mol. Its IUPAC name is 9-[2-(methoxyphosphanylmethoxy)ethyl]purin-2-amine.

Molecular Properties

Compound Name9-[2-(methoxyphosphanylmethoxy)ethyl]purin-2-amine
PubChem CID143852222
Molecular FormulaC9H14N5O2P
Molecular Weight255.22 g/mol
Exact Mass255.09
IUPAC Name9-[2-(methoxyphosphanylmethoxy)ethyl]purin-2-amine
SMILESCOPCOCCn1cnc2cnc(N)nc21
InChIInChI=1S/C9H14N5O2P/c1-15-17-6-16-3-2-14-5-12-7-4-11-9(10)13-8(7)14/h4-5,17H,2-3,6H2,1H3,(H2,10,11,13)
InChIKeyIMRIJKIUAFUUSA-UHFFFAOYSA-N
XLogP0.62
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.22
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

9-propylpurin-2-amine
CID 58755499
2-(2-aminopurin-9-yl)ethanol;ethane
CID 142975458
triethyl 3-(2-aminopurin-9-yl)propane-1,1,1-tricarboxylate
CID 15277619
ethane;9-methylpurin-2-amine
CID 143911812
[4-(2-aminopurin-9-yl)-2-(hydroxymethyl)butyl] acetate
CID 10039252
9-(3-ethoxypropoxy)purin-2-amine
CID 10105575
6-methoxy-9-[2-(phenylmethoxyphosphanylmethoxy)ethyl]purin-2-amine
CID 177172491
3-[(2-aminopurin-9-yl)methoxy]propyl 2-acetyloxyacetate
CID 70488393
methyl 2-(acetyloxymethyl)-3-(2-aminopurin-9-yl)propanoate
CID 169440387
9-pentan-3-ylpurin-2-amine
CID 139448079
[4-(2-aminopurin-9-yl)-1-hydroxy-2-(hydroxymethyl)butyl] dihydrogen phosphate
CID 67947814
2-[2-(2-aminopurin-9-yl)-1,1,2,2-tetradeuterioethyl]propane-1,3-diol
CID 162641502

Frequently Asked Questions

What is the IUPAC name of 9-[2-(methoxyphosphanylmethoxy)ethyl]purin-2-amine?
The IUPAC name of 9-[2-(methoxyphosphanylmethoxy)ethyl]purin-2-amine (CID 143852222) is 9-[2-(methoxyphosphanylmethoxy)ethyl]purin-2-amine.
What is the SMILES notation for 9-[2-(methoxyphosphanylmethoxy)ethyl]purin-2-amine?
The canonical SMILES for 9-[2-(methoxyphosphanylmethoxy)ethyl]purin-2-amine is COPCOCCn1cnc2cnc(N)nc21.
What is the InChIKey of 9-[2-(methoxyphosphanylmethoxy)ethyl]purin-2-amine?
The InChIKey is IMRIJKIUAFUUSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N5O2P/c1-15-17-6-16-3-2-14-5-12-7-4-11-9(10)13-8(7)14/h4-5,17H,2-3,6H2,1H3,(H2,10,11,13).
What are the key properties of 9-[2-(methoxyphosphanylmethoxy)ethyl]purin-2-amine?
9-[2-(methoxyphosphanylmethoxy)ethyl]purin-2-amine has a molecular weight of 255.22 g/mol, XLogP of 0.62, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-(methoxyphosphanylmethoxy)ethyl]purin-2-amine is sourced from PubChem (CID 143852222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).