9-(3-ethoxypropoxy)purin-2-amine

C10H15N5O2 — CID 10105575

IUPAC9-(3-ethoxypropoxy)purin-2-amine
SMILESCCOCCCOn1cnc2cnc(N)nc21
InChIInChI=1S/C10H15N5O2/c1-2-16-4-3-5-17-15-7-13-8-6-12-10(11)14-9(8)15/h6-7H,2-5H2,1H3,(H2,11,12,14)
InChIKeyLENXFRGOUNWTIX-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.26
Rot. Bonds6

About 9-(3-ethoxypropoxy)purin-2-amine

9-(3-ethoxypropoxy)purin-2-amine (PubChem CID 10105575) has the molecular formula C10H15N5O2 and a molecular weight of 237.26 g/mol. Its IUPAC name is 9-(3-ethoxypropoxy)purin-2-amine.

Molecular Properties

Compound Name9-(3-ethoxypropoxy)purin-2-amine
PubChem CID10105575
Molecular FormulaC10H15N5O2
Molecular Weight237.26 g/mol
Exact Mass237.12
IUPAC Name9-(3-ethoxypropoxy)purin-2-amine
SMILESCCOCCCOn1cnc2cnc(N)nc21
InChIInChI=1S/C10H15N5O2/c1-2-16-4-3-5-17-15-7-13-8-6-12-10(11)14-9(8)15/h6-7H,2-5H2,1H3,(H2,11,12,14)
InChIKeyLENXFRGOUNWTIX-UHFFFAOYSA-N
XLogP0.26
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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 9-(3-ethoxypropoxy)purin-2-amine?
The IUPAC name of 9-(3-ethoxypropoxy)purin-2-amine (CID 10105575) is 9-(3-ethoxypropoxy)purin-2-amine.
What is the SMILES notation for 9-(3-ethoxypropoxy)purin-2-amine?
The canonical SMILES for 9-(3-ethoxypropoxy)purin-2-amine is CCOCCCOn1cnc2cnc(N)nc21.
What is the InChIKey of 9-(3-ethoxypropoxy)purin-2-amine?
The InChIKey is LENXFRGOUNWTIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O2/c1-2-16-4-3-5-17-15-7-13-8-6-12-10(11)14-9(8)15/h6-7H,2-5H2,1H3,(H2,11,12,14).
What are the key properties of 9-(3-ethoxypropoxy)purin-2-amine?
9-(3-ethoxypropoxy)purin-2-amine has a molecular weight of 237.26 g/mol, XLogP of 0.26, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-ethoxypropoxy)purin-2-amine is sourced from PubChem (CID 10105575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).