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

C13H12ClN5O — CID 30470491

IUPAC9-[2-(2-chlorophenoxy)ethyl]purin-6-amine
SMILESNc1ncnc2c1ncn2CCOc1ccccc1Cl
InChIInChI=1S/C13H12ClN5O/c14-9-3-1-2-4-10(9)20-6-5-19-8-18-11-12(15)16-7-17-13(11)19/h1-4,7-8H,5-6H2,(H2,15,16,17)
InChIKeyFMYSDSNSFFJBCG-UHFFFAOYSA-N
MW289.73 g/mol
LogP2.14
Rot. Bonds4

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

9-[2-(2-chlorophenoxy)ethyl]purin-6-amine (PubChem CID 30470491) has the molecular formula C13H12ClN5O and a molecular weight of 289.73 g/mol. Its IUPAC name is 9-[2-(2-chlorophenoxy)ethyl]purin-6-amine.

Molecular Properties

Compound Name9-[2-(2-chlorophenoxy)ethyl]purin-6-amine
PubChem CID30470491
Molecular FormulaC13H12ClN5O
Molecular Weight289.73 g/mol
Exact Mass289.07
IUPAC Name9-[2-(2-chlorophenoxy)ethyl]purin-6-amine
SMILESNc1ncnc2c1ncn2CCOc1ccccc1Cl
InChIInChI=1S/C13H12ClN5O/c14-9-3-1-2-4-10(9)20-6-5-19-8-18-11-12(15)16-7-17-13(11)19/h1-4,7-8H,5-6H2,(H2,15,16,17)
InChIKeyFMYSDSNSFFJBCG-UHFFFAOYSA-N
XLogP2.14
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.73
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

CID 584317
CID 584317
CID 168285984
CID 168285984
CID 783815
CID 783815
CID 16005072
CID 16005072
CID 117889785
CID 117889785
CID 757354
CID 757354
CID 16021667
CID 16021667
CID 44414710
CID 44414710
CID 44570331
CID 44570331
CID 46875602
CID 46875602
CID 145956229
CID 145956229
CID 597546
CID 597546

Frequently Asked Questions

What is the IUPAC name of 9-[2-(2-chlorophenoxy)ethyl]purin-6-amine?
The IUPAC name of 9-[2-(2-chlorophenoxy)ethyl]purin-6-amine (CID 30470491) is 9-[2-(2-chlorophenoxy)ethyl]purin-6-amine.
What is the SMILES notation for 9-[2-(2-chlorophenoxy)ethyl]purin-6-amine?
The canonical SMILES for 9-[2-(2-chlorophenoxy)ethyl]purin-6-amine is Nc1ncnc2c1ncn2CCOc1ccccc1Cl.
What is the InChIKey of 9-[2-(2-chlorophenoxy)ethyl]purin-6-amine?
The InChIKey is FMYSDSNSFFJBCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN5O/c14-9-3-1-2-4-10(9)20-6-5-19-8-18-11-12(15)16-7-17-13(11)19/h1-4,7-8H,5-6H2,(H2,15,16,17).
What are the key properties of 9-[2-(2-chlorophenoxy)ethyl]purin-6-amine?
9-[2-(2-chlorophenoxy)ethyl]purin-6-amine has a molecular weight of 289.73 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-(2-chlorophenoxy)ethyl]purin-6-amine is sourced from PubChem (CID 30470491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).