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

C6H4F3N5 — CID 69440803

IUPACN-(trifluoromethyl)-7H-purin-8-amine
SMILESFC(F)(F)Nc1nc2ncncc2[nH]1
InChIInChI=1S/C6H4F3N5/c7-6(8,9)14-5-12-3-1-10-2-11-4(3)13-5/h1-2H,(H2,10,11,12,13,14)
InChIKeyMSAVWPGBHMMQLO-UHFFFAOYSA-N
MW203.13 g/mol
LogP1.28
Rot. Bonds1

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

N-(trifluoromethyl)-7H-purin-8-amine (PubChem CID 69440803) has the molecular formula C6H4F3N5 and a molecular weight of 203.13 g/mol. Its IUPAC name is N-(trifluoromethyl)-7H-purin-8-amine.

Molecular Properties

Compound NameN-(trifluoromethyl)-7H-purin-8-amine
PubChem CID69440803
Molecular FormulaC6H4F3N5
Molecular Weight203.13 g/mol
Exact Mass203.04
IUPAC NameN-(trifluoromethyl)-7H-purin-8-amine
SMILESFC(F)(F)Nc1nc2ncncc2[nH]1
InChIInChI=1S/C6H4F3N5/c7-6(8,9)14-5-12-3-1-10-2-11-4(3)13-5/h1-2H,(H2,10,11,12,13,14)
InChIKeyMSAVWPGBHMMQLO-UHFFFAOYSA-N
XLogP1.28
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.13
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze N-(trifluoromethyl)-7H-purin-8-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 N-(trifluoromethyl)-7H-purin-8-amine?
The IUPAC name of N-(trifluoromethyl)-7H-purin-8-amine (CID 69440803) is N-(trifluoromethyl)-7H-purin-8-amine.
What is the SMILES notation for N-(trifluoromethyl)-7H-purin-8-amine?
The canonical SMILES for N-(trifluoromethyl)-7H-purin-8-amine is FC(F)(F)Nc1nc2ncncc2[nH]1.
What is the InChIKey of N-(trifluoromethyl)-7H-purin-8-amine?
The InChIKey is MSAVWPGBHMMQLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F3N5/c7-6(8,9)14-5-12-3-1-10-2-11-4(3)13-5/h1-2H,(H2,10,11,12,13,14).
What are the key properties of N-(trifluoromethyl)-7H-purin-8-amine?
N-(trifluoromethyl)-7H-purin-8-amine has a molecular weight of 203.13 g/mol, XLogP of 1.28, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(trifluoromethyl)-7H-purin-8-amine is sourced from PubChem (CID 69440803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).