N-ethyl-2-(trifluoromethyl)-7H-purin-6-amine

C8H8F3N5 — CID 4574429

IUPACN-ethyl-2-(trifluoromethyl)-7H-purin-6-amine
SMILESCCNc1nc(C(F)(F)F)nc2nc[nH]c12
InChIInChI=1S/C8H8F3N5/c1-2-12-5-4-6(14-3-13-4)16-7(15-5)8(9,10)11/h3H,2H2,1H3,(H2,12,13,14,15,16)
InChIKeyGIQUWNHXATXJAX-UHFFFAOYSA-N
MW231.18 g/mol
LogP1.80
Rot. Bonds2

About N-ethyl-2-(trifluoromethyl)-7H-purin-6-amine

N-ethyl-2-(trifluoromethyl)-7H-purin-6-amine (PubChem CID 4574429) has the molecular formula C8H8F3N5 and a molecular weight of 231.18 g/mol. Its IUPAC name is N-ethyl-2-(trifluoromethyl)-7H-purin-6-amine.

Molecular Properties

Compound NameN-ethyl-2-(trifluoromethyl)-7H-purin-6-amine
PubChem CID4574429
Molecular FormulaC8H8F3N5
Molecular Weight231.18 g/mol
Exact Mass231.07
IUPAC NameN-ethyl-2-(trifluoromethyl)-7H-purin-6-amine
SMILESCCNc1nc(C(F)(F)F)nc2nc[nH]c12
InChIInChI=1S/C8H8F3N5/c1-2-12-5-4-6(14-3-13-4)16-7(15-5)8(9,10)11/h3H,2H2,1H3,(H2,12,13,14,15,16)
InChIKeyGIQUWNHXATXJAX-UHFFFAOYSA-N
XLogP1.80
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.18
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(trifluoromethyl)-7H-purin-6-amine?
The IUPAC name of N-ethyl-2-(trifluoromethyl)-7H-purin-6-amine (CID 4574429) is N-ethyl-2-(trifluoromethyl)-7H-purin-6-amine.
What is the SMILES notation for N-ethyl-2-(trifluoromethyl)-7H-purin-6-amine?
The canonical SMILES for N-ethyl-2-(trifluoromethyl)-7H-purin-6-amine is CCNc1nc(C(F)(F)F)nc2nc[nH]c12.
What is the InChIKey of N-ethyl-2-(trifluoromethyl)-7H-purin-6-amine?
The InChIKey is GIQUWNHXATXJAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3N5/c1-2-12-5-4-6(14-3-13-4)16-7(15-5)8(9,10)11/h3H,2H2,1H3,(H2,12,13,14,15,16).
What are the key properties of N-ethyl-2-(trifluoromethyl)-7H-purin-6-amine?
N-ethyl-2-(trifluoromethyl)-7H-purin-6-amine has a molecular weight of 231.18 g/mol, XLogP of 1.80, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(trifluoromethyl)-7H-purin-6-amine is sourced from PubChem (CID 4574429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).