9-[2-(2-methylphenoxy)ethyl]purin-6-amine

C14H15N5O — CID 757354

IUPAC9-[2-(2-methylphenoxy)ethyl]purin-6-amine
SMILESCc1ccccc1OCCn1cnc2c(N)ncnc21
InChIInChI=1S/C14H15N5O/c1-10-4-2-3-5-11(10)20-7-6-19-9-18-12-13(15)16-8-17-14(12)19/h2-5,8-9H,6-7H2,1H3,(H2,15,16,17)
InChIKeyNWYSZOUHZFCJKK-UHFFFAOYSA-N
MW269.31 g/mol
LogP1.80
Rot. Bonds4

About 9-[2-(2-methylphenoxy)ethyl]purin-6-amine

9-[2-(2-methylphenoxy)ethyl]purin-6-amine (PubChem CID 757354) has the molecular formula C14H15N5O and a molecular weight of 269.31 g/mol. Its IUPAC name is 9-[2-(2-methylphenoxy)ethyl]purin-6-amine.

Molecular Properties

Compound Name9-[2-(2-methylphenoxy)ethyl]purin-6-amine
PubChem CID757354
Molecular FormulaC14H15N5O
Molecular Weight269.31 g/mol
Exact Mass269.13
IUPAC Name9-[2-(2-methylphenoxy)ethyl]purin-6-amine
SMILESCc1ccccc1OCCn1cnc2c(N)ncnc21
InChIInChI=1S/C14H15N5O/c1-10-4-2-3-5-11(10)20-7-6-19-9-18-12-13(15)16-8-17-14(12)19/h2-5,8-9H,6-7H2,1H3,(H2,15,16,17)
InChIKeyNWYSZOUHZFCJKK-UHFFFAOYSA-N
XLogP1.80
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 9-[2-(2-methylphenoxy)ethyl]purin-6-amine?
The IUPAC name of 9-[2-(2-methylphenoxy)ethyl]purin-6-amine (CID 757354) is 9-[2-(2-methylphenoxy)ethyl]purin-6-amine.
What is the SMILES notation for 9-[2-(2-methylphenoxy)ethyl]purin-6-amine?
The canonical SMILES for 9-[2-(2-methylphenoxy)ethyl]purin-6-amine is Cc1ccccc1OCCn1cnc2c(N)ncnc21.
What is the InChIKey of 9-[2-(2-methylphenoxy)ethyl]purin-6-amine?
The InChIKey is NWYSZOUHZFCJKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O/c1-10-4-2-3-5-11(10)20-7-6-19-9-18-12-13(15)16-8-17-14(12)19/h2-5,8-9H,6-7H2,1H3,(H2,15,16,17).
What are the key properties of 9-[2-(2-methylphenoxy)ethyl]purin-6-amine?
9-[2-(2-methylphenoxy)ethyl]purin-6-amine has a molecular weight of 269.31 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-(2-methylphenoxy)ethyl]purin-6-amine is sourced from PubChem (CID 757354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).