6-ethoxy-7H-purine-2,8-diamine

C7H10N6O — CID 70356487

IUPAC6-ethoxy-7H-purine-2,8-diamine
SMILESCCOc1nc(N)nc2nc(N)[nH]c12
InChIInChI=1S/C7H10N6O/c1-2-14-5-3-4(11-6(8)10-3)12-7(9)13-5/h2H2,1H3,(H5,8,9,10,11,12,13)
InChIKeyBSOUWHBFENZBQF-UHFFFAOYSA-N
MW194.20 g/mol
LogP-0.08
Rot. Bonds2

About 6-ethoxy-7H-purine-2,8-diamine

6-ethoxy-7H-purine-2,8-diamine (PubChem CID 70356487) has the molecular formula C7H10N6O and a molecular weight of 194.20 g/mol. Its IUPAC name is 6-ethoxy-7H-purine-2,8-diamine.

Molecular Properties

Compound Name6-ethoxy-7H-purine-2,8-diamine
PubChem CID70356487
Molecular FormulaC7H10N6O
Molecular Weight194.20 g/mol
Exact Mass194.09
IUPAC Name6-ethoxy-7H-purine-2,8-diamine
SMILESCCOc1nc(N)nc2nc(N)[nH]c12
InChIInChI=1S/C7H10N6O/c1-2-14-5-3-4(11-6(8)10-3)12-7(9)13-5/h2H2,1H3,(H5,8,9,10,11,12,13)
InChIKeyBSOUWHBFENZBQF-UHFFFAOYSA-N
XLogP-0.08
TPSA115.73 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.20
LogP ≤ 5-0.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-7H-purine-2,8-diamine?
The IUPAC name of 6-ethoxy-7H-purine-2,8-diamine (CID 70356487) is 6-ethoxy-7H-purine-2,8-diamine.
What is the SMILES notation for 6-ethoxy-7H-purine-2,8-diamine?
The canonical SMILES for 6-ethoxy-7H-purine-2,8-diamine is CCOc1nc(N)nc2nc(N)[nH]c12.
What is the InChIKey of 6-ethoxy-7H-purine-2,8-diamine?
The InChIKey is BSOUWHBFENZBQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N6O/c1-2-14-5-3-4(11-6(8)10-3)12-7(9)13-5/h2H2,1H3,(H5,8,9,10,11,12,13).
What are the key properties of 6-ethoxy-7H-purine-2,8-diamine?
6-ethoxy-7H-purine-2,8-diamine has a molecular weight of 194.20 g/mol, XLogP of -0.08, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-7H-purine-2,8-diamine is sourced from PubChem (CID 70356487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).