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

C20H17F2N5O2 — CID 24857276

IUPAC2-(2,6-difluorophenoxy)-9-ethyl-N-(2-methoxyphenyl)purin-8-amine
SMILESCCn1c(Nc2ccccc2OC)nc2cnc(Oc3c(F)cccc3F)nc21
InChIInChI=1S/C20H17F2N5O2/c1-3-27-18-15(25-19(27)24-14-9-4-5-10-16(14)28-2)11-23-20(26-18)29-17-12(21)7-6-8-13(17)22/h4-11H,3H2,1-2H3,(H,24,25)
InChIKeyYYDPPXYPYUYUBI-UHFFFAOYSA-N
MW397.39 g/mol
LogP4.67
Rot. Bonds6

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

2-(2,6-difluorophenoxy)-9-ethyl-N-(2-methoxyphenyl)purin-8-amine (PubChem CID 24857276) has the molecular formula C20H17F2N5O2 and a molecular weight of 397.39 g/mol. Its IUPAC name is 2-(2,6-difluorophenoxy)-9-ethyl-N-(2-methoxyphenyl)purin-8-amine.

Molecular Properties

Compound Name2-(2,6-difluorophenoxy)-9-ethyl-N-(2-methoxyphenyl)purin-8-amine
PubChem CID24857276
Molecular FormulaC20H17F2N5O2
Molecular Weight397.39 g/mol
Exact Mass397.14
IUPAC Name2-(2,6-difluorophenoxy)-9-ethyl-N-(2-methoxyphenyl)purin-8-amine
SMILESCCn1c(Nc2ccccc2OC)nc2cnc(Oc3c(F)cccc3F)nc21
InChIInChI=1S/C20H17F2N5O2/c1-3-27-18-15(25-19(27)24-14-9-4-5-10-16(14)28-2)11-23-20(26-18)29-17-12(21)7-6-8-13(17)22/h4-11H,3H2,1-2H3,(H,24,25)
InChIKeyYYDPPXYPYUYUBI-UHFFFAOYSA-N
XLogP4.67
TPSA74.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.39
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenoxy)-9-ethyl-N-(2-methoxyphenyl)purin-8-amine?
The IUPAC name of 2-(2,6-difluorophenoxy)-9-ethyl-N-(2-methoxyphenyl)purin-8-amine (CID 24857276) is 2-(2,6-difluorophenoxy)-9-ethyl-N-(2-methoxyphenyl)purin-8-amine.
What is the SMILES notation for 2-(2,6-difluorophenoxy)-9-ethyl-N-(2-methoxyphenyl)purin-8-amine?
The canonical SMILES for 2-(2,6-difluorophenoxy)-9-ethyl-N-(2-methoxyphenyl)purin-8-amine is CCn1c(Nc2ccccc2OC)nc2cnc(Oc3c(F)cccc3F)nc21.
What is the InChIKey of 2-(2,6-difluorophenoxy)-9-ethyl-N-(2-methoxyphenyl)purin-8-amine?
The InChIKey is YYDPPXYPYUYUBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2N5O2/c1-3-27-18-15(25-19(27)24-14-9-4-5-10-16(14)28-2)11-23-20(26-18)29-17-12(21)7-6-8-13(17)22/h4-11H,3H2,1-2H3,(H,24,25).
What are the key properties of 2-(2,6-difluorophenoxy)-9-ethyl-N-(2-methoxyphenyl)purin-8-amine?
2-(2,6-difluorophenoxy)-9-ethyl-N-(2-methoxyphenyl)purin-8-amine has a molecular weight of 397.39 g/mol, XLogP of 4.67, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenoxy)-9-ethyl-N-(2-methoxyphenyl)purin-8-amine is sourced from PubChem (CID 24857276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).