2-[2-[2-[2-(2,6-dichloropurin-9-yl)ethoxy]ethoxy]ethoxy]ethanol

C13H18Cl2N4O4 — CID 155689585

IUPAC2-[2-[2-[2-(2,6-dichloropurin-9-yl)ethoxy]ethoxy]ethoxy]ethanol
SMILESOCCOCCOCCOCCn1cnc2c(Cl)nc(Cl)nc21
InChIInChI=1S/C13H18Cl2N4O4/c14-11-10-12(18-13(15)17-11)19(9-16-10)1-3-21-5-7-23-8-6-22-4-2-20/h9,20H,1-8H2
InChIKeyYZEMZXINZOBCJC-UHFFFAOYSA-N
MW365.22 g/mol
LogP1.18
Rot. Bonds11

About 2-[2-[2-[2-(2,6-dichloropurin-9-yl)ethoxy]ethoxy]ethoxy]ethanol

2-[2-[2-[2-(2,6-dichloropurin-9-yl)ethoxy]ethoxy]ethoxy]ethanol (PubChem CID 155689585) has the molecular formula C13H18Cl2N4O4 and a molecular weight of 365.22 g/mol. Its IUPAC name is 2-[2-[2-[2-(2,6-dichloropurin-9-yl)ethoxy]ethoxy]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[2-[2-(2,6-dichloropurin-9-yl)ethoxy]ethoxy]ethoxy]ethanol
PubChem CID155689585
Molecular FormulaC13H18Cl2N4O4
Molecular Weight365.22 g/mol
Exact Mass364.07
IUPAC Name2-[2-[2-[2-(2,6-dichloropurin-9-yl)ethoxy]ethoxy]ethoxy]ethanol
SMILESOCCOCCOCCOCCn1cnc2c(Cl)nc(Cl)nc21
InChIInChI=1S/C13H18Cl2N4O4/c14-11-10-12(18-13(15)17-11)19(9-16-10)1-3-21-5-7-23-8-6-22-4-2-20/h9,20H,1-8H2
InChIKeyYZEMZXINZOBCJC-UHFFFAOYSA-N
XLogP1.18
TPSA91.52 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.22
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2,6-diaminopurin-9-yl)ethoxy]ethanol
CID 143078293
2,6-dichloro-9-(2-pyrrolidin-1-ylethyl)purine
CID 24904110
2,6-dichloro-9-[(E)-hept-4-enyl]purine
CID 18440611
ethyl 7-(2,6-dichloropurin-9-yl)heptanoate
CID 118366979
N-[2-(2,6-dichloropurin-9-yl)ethyl]methanesulfonamide
CID 58285343
2-(2-amino-6-chloropurin-9-yl)ethoxymethyl-methoxyphosphinic acid
CID 167008984
2-[2-[2-[2-[2-[2-[2-[4-[(2-chloro-9-methylpurin-6-yl)amino]-3-methoxypyrazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 175886809
1-(4-chlorophenyl)-2-(2,6-dichloropurin-9-yl)ethanone
CID 170775423
6-chloro-9-[2-(dipropoxyphosphorylmethoxy)ethyl]purin-2-amine
CID 89383791
2-chloro-9-(2-hydroxyethoxymethyl)-1H-purin-6-one
CID 135675129
9-(3-bromopropyl)-2-chloro-6-methoxypurine
CID 87244085
(2,6-dichloropurin-9-yl)-iodophosphane
CID 134308936

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-(2,6-dichloropurin-9-yl)ethoxy]ethoxy]ethoxy]ethanol?
The IUPAC name of 2-[2-[2-[2-(2,6-dichloropurin-9-yl)ethoxy]ethoxy]ethoxy]ethanol (CID 155689585) is 2-[2-[2-[2-(2,6-dichloropurin-9-yl)ethoxy]ethoxy]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[2-[2-(2,6-dichloropurin-9-yl)ethoxy]ethoxy]ethoxy]ethanol?
The canonical SMILES for 2-[2-[2-[2-(2,6-dichloropurin-9-yl)ethoxy]ethoxy]ethoxy]ethanol is OCCOCCOCCOCCn1cnc2c(Cl)nc(Cl)nc21.
What is the InChIKey of 2-[2-[2-[2-(2,6-dichloropurin-9-yl)ethoxy]ethoxy]ethoxy]ethanol?
The InChIKey is YZEMZXINZOBCJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2N4O4/c14-11-10-12(18-13(15)17-11)19(9-16-10)1-3-21-5-7-23-8-6-22-4-2-20/h9,20H,1-8H2.
What are the key properties of 2-[2-[2-[2-(2,6-dichloropurin-9-yl)ethoxy]ethoxy]ethoxy]ethanol?
2-[2-[2-[2-(2,6-dichloropurin-9-yl)ethoxy]ethoxy]ethoxy]ethanol has a molecular weight of 365.22 g/mol, XLogP of 1.18, 11 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-(2,6-dichloropurin-9-yl)ethoxy]ethoxy]ethoxy]ethanol is sourced from PubChem (CID 155689585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).