9-ethyl-2-(trifluoromethyl)purine

C8H7F3N4 — CID 141211507

IUPAC9-ethyl-2-(trifluoromethyl)purine
SMILESCCn1cnc2cnc(C(F)(F)F)nc21
InChIInChI=1S/C8H7F3N4/c1-2-15-4-13-5-3-12-7(8(9,10)11)14-6(5)15/h3-4H,2H2,1H3
InChIKeyILMPQFNJVYARBP-UHFFFAOYSA-N
MW216.17 g/mol
LogP1.87
Rot. Bonds1

About 9-ethyl-2-(trifluoromethyl)purine

9-ethyl-2-(trifluoromethyl)purine (PubChem CID 141211507) has the molecular formula C8H7F3N4 and a molecular weight of 216.17 g/mol. Its IUPAC name is 9-ethyl-2-(trifluoromethyl)purine.

Molecular Properties

Compound Name9-ethyl-2-(trifluoromethyl)purine
PubChem CID141211507
Molecular FormulaC8H7F3N4
Molecular Weight216.17 g/mol
Exact Mass216.06
IUPAC Name9-ethyl-2-(trifluoromethyl)purine
SMILESCCn1cnc2cnc(C(F)(F)F)nc21
InChIInChI=1S/C8H7F3N4/c1-2-15-4-13-5-3-12-7(8(9,10)11)14-6(5)15/h3-4H,2H2,1H3
InChIKeyILMPQFNJVYARBP-UHFFFAOYSA-N
XLogP1.87
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.17
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-Aminopurine
CID 9955
Purine
CID 1044
9-Ethyladenine
CID 7
9-Propyl-9h-purin-6-amine
CID 247436
2-chloro-9-methyl-9H-purine
CID 7147173
9-Butyl-9H-purin-6-amine
CID 75929
N,N,9-Trimethyl-9H-purin-6-amine
CID 221105
9-isopropyl-9H-purin-6-amine
CID 414707
9-(sec-Butyl)-9H-adenine
CID 44572293
7-Ethyl-7h-purin-6-amine
CID 185566
Imidazo(1,5-a)pyrazin-8-amine
CID 55276043
Dimethylaminopurine
CID 4312426

Frequently Asked Questions

What is the IUPAC name of 9-ethyl-2-(trifluoromethyl)purine?
The IUPAC name of 9-ethyl-2-(trifluoromethyl)purine (CID 141211507) is 9-ethyl-2-(trifluoromethyl)purine.
What is the SMILES notation for 9-ethyl-2-(trifluoromethyl)purine?
The canonical SMILES for 9-ethyl-2-(trifluoromethyl)purine is CCn1cnc2cnc(C(F)(F)F)nc21.
What is the InChIKey of 9-ethyl-2-(trifluoromethyl)purine?
The InChIKey is ILMPQFNJVYARBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N4/c1-2-15-4-13-5-3-12-7(8(9,10)11)14-6(5)15/h3-4H,2H2,1H3.
What are the key properties of 9-ethyl-2-(trifluoromethyl)purine?
9-ethyl-2-(trifluoromethyl)purine has a molecular weight of 216.17 g/mol, XLogP of 1.87, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethyl-2-(trifluoromethyl)purine is sourced from PubChem (CID 141211507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).