9-[2-(dimorpholin-4-ylphosphanylmethoxy)ethyl]purin-6-amine

C16H26N7O3P — CID 70183237

IUPAC9-[2-(dimorpholin-4-ylphosphanylmethoxy)ethyl]purin-6-amine
SMILESNc1ncnc2c1ncn2CCOCP(N1CCOCC1)N1CCOCC1
InChIInChI=1S/C16H26N7O3P/c17-15-14-16(19-11-18-15)21(12-20-14)1-6-26-13-27(22-2-7-24-8-3-22)23-4-9-25-10-5-23/h11-12H,1-10,13H2,(H2,17,18,19)
InChIKeyIQTKFWRIINSMOZ-UHFFFAOYSA-N
MW395.40 g/mol
LogP0.36
Rot. Bonds7

About 9-[2-(dimorpholin-4-ylphosphanylmethoxy)ethyl]purin-6-amine

9-[2-(dimorpholin-4-ylphosphanylmethoxy)ethyl]purin-6-amine (PubChem CID 70183237) has the molecular formula C16H26N7O3P and a molecular weight of 395.40 g/mol. Its IUPAC name is 9-[2-(dimorpholin-4-ylphosphanylmethoxy)ethyl]purin-6-amine.

Molecular Properties

Compound Name9-[2-(dimorpholin-4-ylphosphanylmethoxy)ethyl]purin-6-amine
PubChem CID70183237
Molecular FormulaC16H26N7O3P
Molecular Weight395.40 g/mol
Exact Mass395.18
IUPAC Name9-[2-(dimorpholin-4-ylphosphanylmethoxy)ethyl]purin-6-amine
SMILESNc1ncnc2c1ncn2CCOCP(N1CCOCC1)N1CCOCC1
InChIInChI=1S/C16H26N7O3P/c17-15-14-16(19-11-18-15)21(12-20-14)1-6-26-13-27(22-2-7-24-8-3-22)23-4-9-25-10-5-23/h11-12H,1-10,13H2,(H2,17,18,19)
InChIKeyIQTKFWRIINSMOZ-UHFFFAOYSA-N
XLogP0.36
TPSA103.79 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.40
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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-phosphanylethoxy)ethyl]purin-6-amine
CID 151693053
9-[2-(dioxidophosphinothioylmethoxy)ethyl]purin-6-amine
CID 59288010
disodium;9-[2-(dioxidophosphinothioylmethoxy)ethyl]purin-6-amine
CID 54771818
9-[2-[2-(dimethylamino)ethoxy]ethyl]purin-6-amine
CID 15334366
9-[2-(dihydroxyphosphinothioylmethoxy)ethyl]purin-6-amine
CID 54577179
2-[2-(6-aminopurin-9-yl)ethoxy]ethylphosphonic acid
CID 513622
sodium;2-(6-aminopurin-9-yl)ethoxymethylphosphonic acid;hydride
CID 175088142
9-[3-(3,3-dimethylmorpholin-4-yl)propyl]purin-6-amine
CID 62897812
2-(6-aminopurin-9-yl)ethylazanium
CID 5248631
9-[2-[2-(6-aminopurin-9-yl)ethoxy-methylphosphoryl]oxyethyl]purin-6-amine
CID 175273885
9-[3-(4-methylpiperazin-1-yl)propyl]purin-6-amine
CID 62898747
2-(6-aminopurin-9-yl)ethoxymethyl-octadecanoyloxyphosphinous acid
CID 135302954

Frequently Asked Questions

What is the IUPAC name of 9-[2-(dimorpholin-4-ylphosphanylmethoxy)ethyl]purin-6-amine?
The IUPAC name of 9-[2-(dimorpholin-4-ylphosphanylmethoxy)ethyl]purin-6-amine (CID 70183237) is 9-[2-(dimorpholin-4-ylphosphanylmethoxy)ethyl]purin-6-amine.
What is the SMILES notation for 9-[2-(dimorpholin-4-ylphosphanylmethoxy)ethyl]purin-6-amine?
The canonical SMILES for 9-[2-(dimorpholin-4-ylphosphanylmethoxy)ethyl]purin-6-amine is Nc1ncnc2c1ncn2CCOCP(N1CCOCC1)N1CCOCC1.
What is the InChIKey of 9-[2-(dimorpholin-4-ylphosphanylmethoxy)ethyl]purin-6-amine?
The InChIKey is IQTKFWRIINSMOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N7O3P/c17-15-14-16(19-11-18-15)21(12-20-14)1-6-26-13-27(22-2-7-24-8-3-22)23-4-9-25-10-5-23/h11-12H,1-10,13H2,(H2,17,18,19).
What are the key properties of 9-[2-(dimorpholin-4-ylphosphanylmethoxy)ethyl]purin-6-amine?
9-[2-(dimorpholin-4-ylphosphanylmethoxy)ethyl]purin-6-amine has a molecular weight of 395.40 g/mol, XLogP of 0.36, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-(dimorpholin-4-ylphosphanylmethoxy)ethyl]purin-6-amine is sourced from PubChem (CID 70183237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).