9-[2-(2-phosphanylethoxy)ethyl]purin-6-amine

C9H14N5OP — CID 151693053

IUPAC9-[2-(2-phosphanylethoxy)ethyl]purin-6-amine
SMILESNc1ncnc2c1ncn2CCOCCP
InChIInChI=1S/C9H14N5OP/c10-8-7-9(12-5-11-8)14(6-13-7)1-2-15-3-4-16/h5-6H,1-4,16H2,(H2,10,11,12)
InChIKeyRCZDGNZQXBZEHP-UHFFFAOYSA-N
MW239.22 g/mol
LogP0.30
Rot. Bonds5

About 9-[2-(2-phosphanylethoxy)ethyl]purin-6-amine

9-[2-(2-phosphanylethoxy)ethyl]purin-6-amine (PubChem CID 151693053) has the molecular formula C9H14N5OP and a molecular weight of 239.22 g/mol. Its IUPAC name is 9-[2-(2-phosphanylethoxy)ethyl]purin-6-amine.

Molecular Properties

Compound Name9-[2-(2-phosphanylethoxy)ethyl]purin-6-amine
PubChem CID151693053
Molecular FormulaC9H14N5OP
Molecular Weight239.22 g/mol
Exact Mass239.09
IUPAC Name9-[2-(2-phosphanylethoxy)ethyl]purin-6-amine
SMILESNc1ncnc2c1ncn2CCOCCP
InChIInChI=1S/C9H14N5OP/c10-8-7-9(12-5-11-8)14(6-13-7)1-2-15-3-4-16/h5-6H,1-4,16H2,(H2,10,11,12)
InChIKeyRCZDGNZQXBZEHP-UHFFFAOYSA-N
XLogP0.30
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.22
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-[2-[2-(dimethylamino)ethoxy]ethyl]purin-6-amine
CID 15334366
2-[2-(6-aminopurin-9-yl)ethoxy]ethylphosphonic acid
CID 513622
9-[2-(dihydroxyphosphinothioylmethoxy)ethyl]purin-6-amine
CID 54577179
9-[2-(dioxidophosphinothioylmethoxy)ethyl]purin-6-amine
CID 59288010
disodium;9-[2-(dioxidophosphinothioylmethoxy)ethyl]purin-6-amine
CID 54771818
sodium;2-(6-aminopurin-9-yl)ethoxymethylphosphonic acid;hydride
CID 175088142
9-[3-(2,2,2-trifluoroethoxy)propyl]purin-6-amine
CID 55215661
2-(6-aminopurin-9-yl)ethylazanium
CID 5248631
9-[2-[2-(6-aminopurin-9-yl)ethoxy-methylphosphoryl]oxyethyl]purin-6-amine
CID 175273885
2-(6-aminopurin-9-yl)ethoxy-cyanocyanamide
CID 146590350
9-[2-(4-ethoxyphenoxy)ethyl]purin-6-amine;hydrochloride
CID 126459868
9-[2-(dimorpholin-4-ylphosphanylmethoxy)ethyl]purin-6-amine
CID 70183237

Frequently Asked Questions

What is the IUPAC name of 9-[2-(2-phosphanylethoxy)ethyl]purin-6-amine?
The IUPAC name of 9-[2-(2-phosphanylethoxy)ethyl]purin-6-amine (CID 151693053) is 9-[2-(2-phosphanylethoxy)ethyl]purin-6-amine.
What is the SMILES notation for 9-[2-(2-phosphanylethoxy)ethyl]purin-6-amine?
The canonical SMILES for 9-[2-(2-phosphanylethoxy)ethyl]purin-6-amine is Nc1ncnc2c1ncn2CCOCCP.
What is the InChIKey of 9-[2-(2-phosphanylethoxy)ethyl]purin-6-amine?
The InChIKey is RCZDGNZQXBZEHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N5OP/c10-8-7-9(12-5-11-8)14(6-13-7)1-2-15-3-4-16/h5-6H,1-4,16H2,(H2,10,11,12).
What are the key properties of 9-[2-(2-phosphanylethoxy)ethyl]purin-6-amine?
9-[2-(2-phosphanylethoxy)ethyl]purin-6-amine has a molecular weight of 239.22 g/mol, XLogP of 0.30, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-(2-phosphanylethoxy)ethyl]purin-6-amine is sourced from PubChem (CID 151693053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).