6-N-(2-ethoxyethyl)-6-N-methyl-7H-purine-2,6-diamine

C10H16N6O — CID 104623920

IUPAC6-N-(2-ethoxyethyl)-6-N-methyl-7H-purine-2,6-diamine
SMILESCCOCCN(C)c1nc(N)nc2nc[nH]c12
InChIInChI=1S/C10H16N6O/c1-3-17-5-4-16(2)9-7-8(13-6-12-7)14-10(11)15-9/h6H,3-5H2,1-2H3,(H3,11,12,13,14,15)
InChIKeyXOSCORZXIRYIKN-UHFFFAOYSA-N
MW236.28 g/mol
LogP0.41
Rot. Bonds5

About 6-N-(2-ethoxyethyl)-6-N-methyl-7H-purine-2,6-diamine

6-N-(2-ethoxyethyl)-6-N-methyl-7H-purine-2,6-diamine (PubChem CID 104623920) has the molecular formula C10H16N6O and a molecular weight of 236.28 g/mol. Its IUPAC name is 6-N-(2-ethoxyethyl)-6-N-methyl-7H-purine-2,6-diamine.

Molecular Properties

Compound Name6-N-(2-ethoxyethyl)-6-N-methyl-7H-purine-2,6-diamine
PubChem CID104623920
Molecular FormulaC10H16N6O
Molecular Weight236.28 g/mol
Exact Mass236.14
IUPAC Name6-N-(2-ethoxyethyl)-6-N-methyl-7H-purine-2,6-diamine
SMILESCCOCCN(C)c1nc(N)nc2nc[nH]c12
InChIInChI=1S/C10H16N6O/c1-3-17-5-4-16(2)9-7-8(13-6-12-7)14-10(11)15-9/h6H,3-5H2,1-2H3,(H3,11,12,13,14,15)
InChIKeyXOSCORZXIRYIKN-UHFFFAOYSA-N
XLogP0.41
TPSA92.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[(2-amino-7H-purin-6-yl)-methylamino]acetate
CID 114052448
6-N-methyl-6-N-(2-phenylethyl)-7H-purine-2,6-diamine
CID 44776717
2-[(2-amino-7H-purin-6-yl)-methylamino]-N,N-dimethylacetamide
CID 115669355
2-[(2-amino-7H-purin-6-yl)-methylamino]-N,N-diethylacetamide
CID 115669354
6-N-methyl-6-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-7H-purine-2,6-diamine
CID 134697238
6-N-[(3-methoxyphenyl)methyl]-6-N-methyl-7H-purine-2,6-diamine
CID 115669342
6-N-[(2-fluorophenyl)methyl]-6-N-methyl-7H-purine-2,6-diamine
CID 104623147
6-N-[(5-chlorothiophen-2-yl)methyl]-6-N-methyl-7H-purine-2,6-diamine
CID 115669357
[4-[[(2-amino-7H-purin-6-yl)-methylamino]methyl]oxan-4-yl]methanol
CID 72941332
1-[(2-amino-7H-purin-6-yl)-ethylamino]-2-methylpropan-2-ol
CID 104623697
6-N-ethyl-6-N-[(6-methyl-2-pyridinyl)methyl]-7H-purine-2,6-diamine
CID 114785682
2-[2-(2-aminoethoxy)ethoxy]ethanamine;7H-purine-2,6-diamine
CID 175436087

Frequently Asked Questions

What is the IUPAC name of 6-N-(2-ethoxyethyl)-6-N-methyl-7H-purine-2,6-diamine?
The IUPAC name of 6-N-(2-ethoxyethyl)-6-N-methyl-7H-purine-2,6-diamine (CID 104623920) is 6-N-(2-ethoxyethyl)-6-N-methyl-7H-purine-2,6-diamine.
What is the SMILES notation for 6-N-(2-ethoxyethyl)-6-N-methyl-7H-purine-2,6-diamine?
The canonical SMILES for 6-N-(2-ethoxyethyl)-6-N-methyl-7H-purine-2,6-diamine is CCOCCN(C)c1nc(N)nc2nc[nH]c12.
What is the InChIKey of 6-N-(2-ethoxyethyl)-6-N-methyl-7H-purine-2,6-diamine?
The InChIKey is XOSCORZXIRYIKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N6O/c1-3-17-5-4-16(2)9-7-8(13-6-12-7)14-10(11)15-9/h6H,3-5H2,1-2H3,(H3,11,12,13,14,15).
What are the key properties of 6-N-(2-ethoxyethyl)-6-N-methyl-7H-purine-2,6-diamine?
6-N-(2-ethoxyethyl)-6-N-methyl-7H-purine-2,6-diamine has a molecular weight of 236.28 g/mol, XLogP of 0.41, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(2-ethoxyethyl)-6-N-methyl-7H-purine-2,6-diamine is sourced from PubChem (CID 104623920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).