8-(3-ethoxypropyl)-7H-purin-6-amine

C10H15N5O — CID 114608170

IUPAC8-(3-ethoxypropyl)-7H-purin-6-amine
SMILESCCOCCCc1nc2ncnc(N)c2[nH]1
InChIInChI=1S/C10H15N5O/c1-2-16-5-3-4-7-14-8-9(11)12-6-13-10(8)15-7/h6H,2-5H2,1H3,(H3,11,12,13,14,15)
InChIKeyIBHXVYFHBCQMDQ-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.90
Rot. Bonds5

About 8-(3-ethoxypropyl)-7H-purin-6-amine

8-(3-ethoxypropyl)-7H-purin-6-amine (PubChem CID 114608170) has the molecular formula C10H15N5O and a molecular weight of 221.26 g/mol. Its IUPAC name is 8-(3-ethoxypropyl)-7H-purin-6-amine.

Molecular Properties

Compound Name8-(3-ethoxypropyl)-7H-purin-6-amine
PubChem CID114608170
Molecular FormulaC10H15N5O
Molecular Weight221.26 g/mol
Exact Mass221.13
IUPAC Name8-(3-ethoxypropyl)-7H-purin-6-amine
SMILESCCOCCCc1nc2ncnc(N)c2[nH]1
InChIInChI=1S/C10H15N5O/c1-2-16-5-3-4-7-14-8-9(11)12-6-13-10(8)15-7/h6H,2-5H2,1H3,(H3,11,12,13,14,15)
InChIKeyIBHXVYFHBCQMDQ-UHFFFAOYSA-N
XLogP0.90
TPSA89.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 8-(3-ethoxypropyl)-7H-purin-6-amine?
The IUPAC name of 8-(3-ethoxypropyl)-7H-purin-6-amine (CID 114608170) is 8-(3-ethoxypropyl)-7H-purin-6-amine.
What is the SMILES notation for 8-(3-ethoxypropyl)-7H-purin-6-amine?
The canonical SMILES for 8-(3-ethoxypropyl)-7H-purin-6-amine is CCOCCCc1nc2ncnc(N)c2[nH]1.
What is the InChIKey of 8-(3-ethoxypropyl)-7H-purin-6-amine?
The InChIKey is IBHXVYFHBCQMDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O/c1-2-16-5-3-4-7-14-8-9(11)12-6-13-10(8)15-7/h6H,2-5H2,1H3,(H3,11,12,13,14,15).
What are the key properties of 8-(3-ethoxypropyl)-7H-purin-6-amine?
8-(3-ethoxypropyl)-7H-purin-6-amine has a molecular weight of 221.26 g/mol, XLogP of 0.90, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-ethoxypropyl)-7H-purin-6-amine is sourced from PubChem (CID 114608170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).