9-[2-[2-(dimethylamino)ethoxy]ethyl]purin-6-amine

C11H18N6O — CID 15334366

IUPAC9-[2-[2-(dimethylamino)ethoxy]ethyl]purin-6-amine
SMILESCN(C)CCOCCn1cnc2c(N)ncnc21
InChIInChI=1S/C11H18N6O/c1-16(2)3-5-18-6-4-17-8-15-9-10(12)13-7-14-11(9)17/h7-8H,3-6H2,1-2H3,(H2,12,13,14)
InChIKeyYBZVBZIZVIWDGJ-UHFFFAOYSA-N
MW250.31 g/mol
LogP-0.01
Rot. Bonds6

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

9-[2-[2-(dimethylamino)ethoxy]ethyl]purin-6-amine (PubChem CID 15334366) has the molecular formula C11H18N6O and a molecular weight of 250.31 g/mol. Its IUPAC name is 9-[2-[2-(dimethylamino)ethoxy]ethyl]purin-6-amine.

Molecular Properties

Compound Name9-[2-[2-(dimethylamino)ethoxy]ethyl]purin-6-amine
PubChem CID15334366
Molecular FormulaC11H18N6O
Molecular Weight250.31 g/mol
Exact Mass250.15
IUPAC Name9-[2-[2-(dimethylamino)ethoxy]ethyl]purin-6-amine
SMILESCN(C)CCOCCn1cnc2c(N)ncnc21
InChIInChI=1S/C11H18N6O/c1-16(2)3-5-18-6-4-17-8-15-9-10(12)13-7-14-11(9)17/h7-8H,3-6H2,1-2H3,(H2,12,13,14)
InChIKeyYBZVBZIZVIWDGJ-UHFFFAOYSA-N
XLogP-0.01
TPSA82.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

9-[2-(2-phosphanylethoxy)ethyl]purin-6-amine
CID 151693053
9-[2-[methoxy(methyl)amino]ethyl]purin-6-amine;hydrochloride
CID 88596334
2-[2-(6-aminopurin-9-yl)ethoxy]ethylphosphonic acid
CID 513622
9-[3-[2-ethoxyethyl(ethyl)amino]propyl]purin-6-amine
CID 63718095
3-(6-aminopurin-9-yl)-N-[2-[2-[2-(dimethylamino)ethoxy]ethoxy]ethyl]propanamide;3-(6-aminopurin-9-yl)-N-(4-formamidobutyl)propanamide
CID 139213424
9-[2-(dihydroxyphosphinothioylmethoxy)ethyl]purin-6-amine
CID 54577179
9-[2-(dioxidophosphinothioylmethoxy)ethyl]purin-6-amine
CID 59288010
9-[2-[2-(6-aminopurin-9-yl)ethoxy-methylphosphoryl]oxyethyl]purin-6-amine
CID 175273885
disodium;9-[2-(dioxidophosphinothioylmethoxy)ethyl]purin-6-amine
CID 54771818
2-(6-aminopurin-9-yl)ethoxy-cyanocyanamide
CID 146590350
sodium;2-(6-aminopurin-9-yl)ethoxymethylphosphonic acid;hydride
CID 175088142
9-[3-(2,2,2-trifluoroethoxy)propyl]purin-6-amine
CID 55215661

Frequently Asked Questions

What is the IUPAC name of 9-[2-[2-(dimethylamino)ethoxy]ethyl]purin-6-amine?
The IUPAC name of 9-[2-[2-(dimethylamino)ethoxy]ethyl]purin-6-amine (CID 15334366) is 9-[2-[2-(dimethylamino)ethoxy]ethyl]purin-6-amine.
What is the SMILES notation for 9-[2-[2-(dimethylamino)ethoxy]ethyl]purin-6-amine?
The canonical SMILES for 9-[2-[2-(dimethylamino)ethoxy]ethyl]purin-6-amine is CN(C)CCOCCn1cnc2c(N)ncnc21.
What is the InChIKey of 9-[2-[2-(dimethylamino)ethoxy]ethyl]purin-6-amine?
The InChIKey is YBZVBZIZVIWDGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N6O/c1-16(2)3-5-18-6-4-17-8-15-9-10(12)13-7-14-11(9)17/h7-8H,3-6H2,1-2H3,(H2,12,13,14).
What are the key properties of 9-[2-[2-(dimethylamino)ethoxy]ethyl]purin-6-amine?
9-[2-[2-(dimethylamino)ethoxy]ethyl]purin-6-amine has a molecular weight of 250.31 g/mol, XLogP of -0.01, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-[2-(dimethylamino)ethoxy]ethyl]purin-6-amine is sourced from PubChem (CID 15334366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).