7-(trifluoromethyl)purin-6-amine

C6H4F3N5 — CID 175403495

IUPAC7-(trifluoromethyl)purin-6-amine
SMILESNc1ncnc2ncn(C(F)(F)F)c12
InChIInChI=1S/C6H4F3N5/c7-6(8,9)14-2-13-5-3(14)4(10)11-1-12-5/h1-2H,(H2,10,11,12)
InChIKeyISAJFSUHIFMMDD-UHFFFAOYSA-N
MW203.13 g/mol
LogP0.88
Rot. Bonds

About 7-(trifluoromethyl)purin-6-amine

7-(trifluoromethyl)purin-6-amine (PubChem CID 175403495) has the molecular formula C6H4F3N5 and a molecular weight of 203.13 g/mol. Its IUPAC name is 7-(trifluoromethyl)purin-6-amine.

Molecular Properties

Compound Name7-(trifluoromethyl)purin-6-amine
PubChem CID175403495
Molecular FormulaC6H4F3N5
Molecular Weight203.13 g/mol
Exact Mass203.04
IUPAC Name7-(trifluoromethyl)purin-6-amine
SMILESNc1ncnc2ncn(C(F)(F)F)c12
InChIInChI=1S/C6H4F3N5/c7-6(8,9)14-2-13-5-3(14)4(10)11-1-12-5/h1-2H,(H2,10,11,12)
InChIKeyISAJFSUHIFMMDD-UHFFFAOYSA-N
XLogP0.88
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.13
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 7-(trifluoromethyl)purin-6-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-(trifluoromethyl)purin-6-amine?
The IUPAC name of 7-(trifluoromethyl)purin-6-amine (CID 175403495) is 7-(trifluoromethyl)purin-6-amine.
What is the SMILES notation for 7-(trifluoromethyl)purin-6-amine?
The canonical SMILES for 7-(trifluoromethyl)purin-6-amine is Nc1ncnc2ncn(C(F)(F)F)c12.
What is the InChIKey of 7-(trifluoromethyl)purin-6-amine?
The InChIKey is ISAJFSUHIFMMDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F3N5/c7-6(8,9)14-2-13-5-3(14)4(10)11-1-12-5/h1-2H,(H2,10,11,12).
What are the key properties of 7-(trifluoromethyl)purin-6-amine?
7-(trifluoromethyl)purin-6-amine has a molecular weight of 203.13 g/mol, XLogP of 0.88, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(trifluoromethyl)purin-6-amine is sourced from PubChem (CID 175403495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).