8-(trifluoromethyl)-7H-purin-6-amine

C6H4F3N5 — CID 3635406

IUPAC8-(trifluoromethyl)-7H-purin-6-amine
SMILESNc1ncnc2nc(C(F)(F)F)[nH]c12
InChIInChI=1S/C6H4F3N5/c7-6(8,9)5-13-2-3(10)11-1-12-4(2)14-5/h1H,(H3,10,11,12,13,14)
InChIKeyLMWFSHBVFKCMHW-UHFFFAOYSA-N
MW203.13 g/mol
LogP0.95
Rot. Bonds

About 8-(trifluoromethyl)-7H-purin-6-amine

8-(trifluoromethyl)-7H-purin-6-amine (PubChem CID 3635406) has the molecular formula C6H4F3N5 and a molecular weight of 203.13 g/mol. Its IUPAC name is 8-(trifluoromethyl)-7H-purin-6-amine.

Molecular Properties

Compound Name8-(trifluoromethyl)-7H-purin-6-amine
PubChem CID3635406
Molecular FormulaC6H4F3N5
Molecular Weight203.13 g/mol
Exact Mass203.04
IUPAC Name8-(trifluoromethyl)-7H-purin-6-amine
SMILESNc1ncnc2nc(C(F)(F)F)[nH]c12
InChIInChI=1S/C6H4F3N5/c7-6(8,9)5-13-2-3(10)11-1-12-4(2)14-5/h1H,(H3,10,11,12,13,14)
InChIKeyLMWFSHBVFKCMHW-UHFFFAOYSA-N
XLogP0.95
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.13
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 8-(trifluoromethyl)-7H-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 8-(trifluoromethyl)-7H-purin-6-amine?
The IUPAC name of 8-(trifluoromethyl)-7H-purin-6-amine (CID 3635406) is 8-(trifluoromethyl)-7H-purin-6-amine.
What is the SMILES notation for 8-(trifluoromethyl)-7H-purin-6-amine?
The canonical SMILES for 8-(trifluoromethyl)-7H-purin-6-amine is Nc1ncnc2nc(C(F)(F)F)[nH]c12.
What is the InChIKey of 8-(trifluoromethyl)-7H-purin-6-amine?
The InChIKey is LMWFSHBVFKCMHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F3N5/c7-6(8,9)5-13-2-3(10)11-1-12-4(2)14-5/h1H,(H3,10,11,12,13,14).
What are the key properties of 8-(trifluoromethyl)-7H-purin-6-amine?
8-(trifluoromethyl)-7H-purin-6-amine has a molecular weight of 203.13 g/mol, XLogP of 0.95, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(trifluoromethyl)-7H-purin-6-amine is sourced from PubChem (CID 3635406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).