9-[2-(4-ethoxyphenoxy)ethyl]purin-6-amine;hydrochloride

C15H18ClN5O2 — CID 126459868

IUPAC9-[2-(4-ethoxyphenoxy)ethyl]purin-6-amine;hydrochloride
SMILESCCOc1ccc(OCCn2cnc3c(N)ncnc32)cc1.Cl
InChIInChI=1S/C15H17N5O2.ClH/c1-2-21-11-3-5-12(6-4-11)22-8-7-20-10-19-13-14(16)17-9-18-15(13)20;/h3-6,9-10H,2,7-8H2,1H3,(H2,16,17,18);1H
InChIKeyJLFJNKGTQNDLTQ-UHFFFAOYSA-N
MW335.80 g/mol
LogP2.31
Rot. Bonds6

About 9-[2-(4-ethoxyphenoxy)ethyl]purin-6-amine;hydrochloride

9-[2-(4-ethoxyphenoxy)ethyl]purin-6-amine;hydrochloride (PubChem CID 126459868) has the molecular formula C15H18ClN5O2 and a molecular weight of 335.80 g/mol. Its IUPAC name is 9-[2-(4-ethoxyphenoxy)ethyl]purin-6-amine;hydrochloride.

Molecular Properties

Compound Name9-[2-(4-ethoxyphenoxy)ethyl]purin-6-amine;hydrochloride
PubChem CID126459868
Molecular FormulaC15H18ClN5O2
Molecular Weight335.80 g/mol
Exact Mass335.11
IUPAC Name9-[2-(4-ethoxyphenoxy)ethyl]purin-6-amine;hydrochloride
SMILESCCOc1ccc(OCCn2cnc3c(N)ncnc32)cc1.Cl
InChIInChI=1S/C15H17N5O2.ClH/c1-2-21-11-3-5-12(6-4-11)22-8-7-20-10-19-13-14(16)17-9-18-15(13)20;/h3-6,9-10H,2,7-8H2,1H3,(H2,16,17,18);1H
InChIKeyJLFJNKGTQNDLTQ-UHFFFAOYSA-N
XLogP2.31
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.80
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

9-[3-[4-[1-[4-[3-(6-aminopurin-9-yl)propoxy]phenyl]-2,2-diphenylethenyl]phenoxy]propyl]purin-6-amine
CID 102026182
[4-[4-(6-aminopurin-9-yl)butoxy]phenyl]methylphosphonic acid
CID 46185962
9-[2-[2-(6-aminopurin-9-yl)ethoxy-methylphosphoryl]oxyethyl]purin-6-amine
CID 175273885
7-[2-(6-aminopurin-9-yl)ethoxy]-4-methylchromen-2-one
CID 3074200
9-[2-(2-phosphanylethoxy)ethyl]purin-6-amine
CID 151693053
9-[2-[2-(dimethylamino)ethoxy]ethyl]purin-6-amine
CID 15334366
9-nonylpurin-6-amine
CID 3816519
9-[2-[methoxy(methyl)amino]ethyl]purin-6-amine;hydrochloride
CID 88596334
2-(6-aminopurin-9-yl)ethylazanium
CID 5248631
9-[3-[2-ethoxyethyl(ethyl)amino]propyl]purin-6-amine
CID 63718095
2-(6-aminopurin-9-yl)ethoxy-cyanocyanamide
CID 146590350
9-[2-[bis(2-ethoxyphenoxy)phosphorylmethoxy]ethyl]purin-6-amine;phosphoric acid
CID 70674498

Frequently Asked Questions

What is the IUPAC name of 9-[2-(4-ethoxyphenoxy)ethyl]purin-6-amine;hydrochloride?
The IUPAC name of 9-[2-(4-ethoxyphenoxy)ethyl]purin-6-amine;hydrochloride (CID 126459868) is 9-[2-(4-ethoxyphenoxy)ethyl]purin-6-amine;hydrochloride.
What is the SMILES notation for 9-[2-(4-ethoxyphenoxy)ethyl]purin-6-amine;hydrochloride?
The canonical SMILES for 9-[2-(4-ethoxyphenoxy)ethyl]purin-6-amine;hydrochloride is CCOc1ccc(OCCn2cnc3c(N)ncnc32)cc1.Cl.
What is the InChIKey of 9-[2-(4-ethoxyphenoxy)ethyl]purin-6-amine;hydrochloride?
The InChIKey is JLFJNKGTQNDLTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O2.ClH/c1-2-21-11-3-5-12(6-4-11)22-8-7-20-10-19-13-14(16)17-9-18-15(13)20;/h3-6,9-10H,2,7-8H2,1H3,(H2,16,17,18);1H.
What are the key properties of 9-[2-(4-ethoxyphenoxy)ethyl]purin-6-amine;hydrochloride?
9-[2-(4-ethoxyphenoxy)ethyl]purin-6-amine;hydrochloride has a molecular weight of 335.80 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-(4-ethoxyphenoxy)ethyl]purin-6-amine;hydrochloride is sourced from PubChem (CID 126459868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).