6-[2-(dimethylamino)ethoxy]-N-ethyl-7H-purin-2-amine

C11H18N6O — CID 114787500

IUPAC6-[2-(dimethylamino)ethoxy]-N-ethyl-7H-purin-2-amine
SMILESCCNc1nc(OCCN(C)C)c2[nH]cnc2n1
InChIInChI=1S/C11H18N6O/c1-4-12-11-15-9-8(13-7-14-9)10(16-11)18-6-5-17(2)3/h7H,4-6H2,1-3H3,(H2,12,13,14,15,16)
InChIKeyJEJSLWOBVULLQP-UHFFFAOYSA-N
MW250.31 g/mol
LogP0.73
Rot. Bonds6

About 6-[2-(dimethylamino)ethoxy]-N-ethyl-7H-purin-2-amine

6-[2-(dimethylamino)ethoxy]-N-ethyl-7H-purin-2-amine (PubChem CID 114787500) has the molecular formula C11H18N6O and a molecular weight of 250.31 g/mol. Its IUPAC name is 6-[2-(dimethylamino)ethoxy]-N-ethyl-7H-purin-2-amine.

Molecular Properties

Compound Name6-[2-(dimethylamino)ethoxy]-N-ethyl-7H-purin-2-amine
PubChem CID114787500
Molecular FormulaC11H18N6O
Molecular Weight250.31 g/mol
Exact Mass250.15
IUPAC Name6-[2-(dimethylamino)ethoxy]-N-ethyl-7H-purin-2-amine
SMILESCCNc1nc(OCCN(C)C)c2[nH]cnc2n1
InChIInChI=1S/C11H18N6O/c1-4-12-11-15-9-8(13-7-14-9)10(16-11)18-6-5-17(2)3/h7H,4-6H2,1-3H3,(H2,12,13,14,15,16)
InChIKeyJEJSLWOBVULLQP-UHFFFAOYSA-N
XLogP0.73
TPSA78.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-6-(4-methylpentoxy)-7H-purin-2-amine
CID 114786807
2-[(2-chloro-7H-purin-6-yl)oxy]-N,N-dimethylethanamine
CID 104786985
N-ethyl-6-(2-methylbutan-2-yloxy)-7H-purin-2-amine
CID 114786811
N-ethyl-6-[(6-methyl-3-pyridinyl)oxy]-7H-purin-2-amine
CID 114787606
N-ethyl-6-(3-fluorophenoxy)-7H-purin-2-amine
CID 114787286
6-(2-cyclopropylethoxy)-N-propyl-7H-purin-2-amine
CID 106207536
6-N,6-N-dibutyl-2-N-ethyl-7H-purine-2,6-diamine
CID 114783314
N-ethyl-6-(2-methylcyclohexyl)oxy-7H-purin-2-amine
CID 114786879
6-(3,4-difluorophenoxy)-N-ethyl-7H-purin-2-amine
CID 114787415
6-(2,6-dimethyloxan-4-yl)oxy-N-ethyl-7H-purin-2-amine
CID 114788027
6-N-[2-(diethylamino)ethyl]-2-N-ethyl-7H-purine-2,6-diamine
CID 114783663
6-N-cyclopropyl-2-N-ethyl-6-N-methyl-7H-purine-2,6-diamine
CID 114783774

Frequently Asked Questions

What is the IUPAC name of 6-[2-(dimethylamino)ethoxy]-N-ethyl-7H-purin-2-amine?
The IUPAC name of 6-[2-(dimethylamino)ethoxy]-N-ethyl-7H-purin-2-amine (CID 114787500) is 6-[2-(dimethylamino)ethoxy]-N-ethyl-7H-purin-2-amine.
What is the SMILES notation for 6-[2-(dimethylamino)ethoxy]-N-ethyl-7H-purin-2-amine?
The canonical SMILES for 6-[2-(dimethylamino)ethoxy]-N-ethyl-7H-purin-2-amine is CCNc1nc(OCCN(C)C)c2[nH]cnc2n1.
What is the InChIKey of 6-[2-(dimethylamino)ethoxy]-N-ethyl-7H-purin-2-amine?
The InChIKey is JEJSLWOBVULLQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N6O/c1-4-12-11-15-9-8(13-7-14-9)10(16-11)18-6-5-17(2)3/h7H,4-6H2,1-3H3,(H2,12,13,14,15,16).
What are the key properties of 6-[2-(dimethylamino)ethoxy]-N-ethyl-7H-purin-2-amine?
6-[2-(dimethylamino)ethoxy]-N-ethyl-7H-purin-2-amine has a molecular weight of 250.31 g/mol, XLogP of 0.73, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(dimethylamino)ethoxy]-N-ethyl-7H-purin-2-amine is sourced from PubChem (CID 114787500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).