2-(2,6-difluorophenoxy)-9-ethyl-N-(2-methylphenyl)purin-8-amine

C20H17F2N5O — CID 24857372

IUPAC2-(2,6-difluorophenoxy)-9-ethyl-N-(2-methylphenyl)purin-8-amine
SMILESCCn1c(Nc2ccccc2C)nc2cnc(Oc3c(F)cccc3F)nc21
InChIInChI=1S/C20H17F2N5O/c1-3-27-18-16(25-19(27)24-15-10-5-4-7-12(15)2)11-23-20(26-18)28-17-13(21)8-6-9-14(17)22/h4-11H,3H2,1-2H3,(H,24,25)
InChIKeyZTEZDOZVMKJEOF-UHFFFAOYSA-N
MW381.39 g/mol
LogP4.97
Rot. Bonds5

About 2-(2,6-difluorophenoxy)-9-ethyl-N-(2-methylphenyl)purin-8-amine

2-(2,6-difluorophenoxy)-9-ethyl-N-(2-methylphenyl)purin-8-amine (PubChem CID 24857372) has the molecular formula C20H17F2N5O and a molecular weight of 381.39 g/mol. Its IUPAC name is 2-(2,6-difluorophenoxy)-9-ethyl-N-(2-methylphenyl)purin-8-amine.

Molecular Properties

Compound Name2-(2,6-difluorophenoxy)-9-ethyl-N-(2-methylphenyl)purin-8-amine
PubChem CID24857372
Molecular FormulaC20H17F2N5O
Molecular Weight381.39 g/mol
Exact Mass381.14
IUPAC Name2-(2,6-difluorophenoxy)-9-ethyl-N-(2-methylphenyl)purin-8-amine
SMILESCCn1c(Nc2ccccc2C)nc2cnc(Oc3c(F)cccc3F)nc21
InChIInChI=1S/C20H17F2N5O/c1-3-27-18-16(25-19(27)24-15-10-5-4-7-12(15)2)11-23-20(26-18)28-17-13(21)8-6-9-14(17)22/h4-11H,3H2,1-2H3,(H,24,25)
InChIKeyZTEZDOZVMKJEOF-UHFFFAOYSA-N
XLogP4.97
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.39
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenoxy)-9-ethyl-N-(2-methylphenyl)purin-8-amine?
The IUPAC name of 2-(2,6-difluorophenoxy)-9-ethyl-N-(2-methylphenyl)purin-8-amine (CID 24857372) is 2-(2,6-difluorophenoxy)-9-ethyl-N-(2-methylphenyl)purin-8-amine.
What is the SMILES notation for 2-(2,6-difluorophenoxy)-9-ethyl-N-(2-methylphenyl)purin-8-amine?
The canonical SMILES for 2-(2,6-difluorophenoxy)-9-ethyl-N-(2-methylphenyl)purin-8-amine is CCn1c(Nc2ccccc2C)nc2cnc(Oc3c(F)cccc3F)nc21.
What is the InChIKey of 2-(2,6-difluorophenoxy)-9-ethyl-N-(2-methylphenyl)purin-8-amine?
The InChIKey is ZTEZDOZVMKJEOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2N5O/c1-3-27-18-16(25-19(27)24-15-10-5-4-7-12(15)2)11-23-20(26-18)28-17-13(21)8-6-9-14(17)22/h4-11H,3H2,1-2H3,(H,24,25).
What are the key properties of 2-(2,6-difluorophenoxy)-9-ethyl-N-(2-methylphenyl)purin-8-amine?
2-(2,6-difluorophenoxy)-9-ethyl-N-(2-methylphenyl)purin-8-amine has a molecular weight of 381.39 g/mol, XLogP of 4.97, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenoxy)-9-ethyl-N-(2-methylphenyl)purin-8-amine is sourced from PubChem (CID 24857372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).