N,N-bis(2-ethoxyethyl)-7H-purin-6-amine

C13H21N5O2 — CID 3819772

IUPACN,N-bis(2-ethoxyethyl)-7H-purin-6-amine
SMILESCCOCCN(CCOCC)c1ncnc2nc[nH]c12
InChIInChI=1S/C13H21N5O2/c1-3-19-7-5-18(6-8-20-4-2)13-11-12(15-9-14-11)16-10-17-13/h9-10H,3-8H2,1-2H3,(H,14,15,16,17)
InChIKeyGERUHLWFBRURPY-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.23
Rot. Bonds9

About N,N-bis(2-ethoxyethyl)-7H-purin-6-amine

N,N-bis(2-ethoxyethyl)-7H-purin-6-amine (PubChem CID 3819772) has the molecular formula C13H21N5O2 and a molecular weight of 279.34 g/mol. Its IUPAC name is N,N-bis(2-ethoxyethyl)-7H-purin-6-amine.

Molecular Properties

Compound NameN,N-bis(2-ethoxyethyl)-7H-purin-6-amine
PubChem CID3819772
Molecular FormulaC13H21N5O2
Molecular Weight279.34 g/mol
Exact Mass279.17
IUPAC NameN,N-bis(2-ethoxyethyl)-7H-purin-6-amine
SMILESCCOCCN(CCOCC)c1ncnc2nc[nH]c12
InChIInChI=1S/C13H21N5O2/c1-3-19-7-5-18(6-8-20-4-2)13-11-12(15-9-14-11)16-10-17-13/h9-10H,3-8H2,1-2H3,(H,14,15,16,17)
InChIKeyGERUHLWFBRURPY-UHFFFAOYSA-N
XLogP1.23
TPSA76.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-ethoxyethyl)-7H-purin-6-amine?
The IUPAC name of N,N-bis(2-ethoxyethyl)-7H-purin-6-amine (CID 3819772) is N,N-bis(2-ethoxyethyl)-7H-purin-6-amine.
What is the SMILES notation for N,N-bis(2-ethoxyethyl)-7H-purin-6-amine?
The canonical SMILES for N,N-bis(2-ethoxyethyl)-7H-purin-6-amine is CCOCCN(CCOCC)c1ncnc2nc[nH]c12.
What is the InChIKey of N,N-bis(2-ethoxyethyl)-7H-purin-6-amine?
The InChIKey is GERUHLWFBRURPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O2/c1-3-19-7-5-18(6-8-20-4-2)13-11-12(15-9-14-11)16-10-17-13/h9-10H,3-8H2,1-2H3,(H,14,15,16,17).
What are the key properties of N,N-bis(2-ethoxyethyl)-7H-purin-6-amine?
N,N-bis(2-ethoxyethyl)-7H-purin-6-amine has a molecular weight of 279.34 g/mol, XLogP of 1.23, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-ethoxyethyl)-7H-purin-6-amine is sourced from PubChem (CID 3819772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).