8-[5-(trifluoromethyl)-2-pyridinyl]-7H-purin-6-amine

C11H7F3N6 — CID 114909132

IUPAC8-[5-(trifluoromethyl)-2-pyridinyl]-7H-purin-6-amine
SMILESNc1ncnc2nc(-c3ccc(C(F)(F)F)cn3)[nH]c12
InChIInChI=1S/C11H7F3N6/c12-11(13,14)5-1-2-6(16-3-5)9-19-7-8(15)17-4-18-10(7)20-9/h1-4H,(H3,15,17,18,19,20)
InChIKeyHGPUWCHEAFIOGE-UHFFFAOYSA-N
MW280.21 g/mol
LogP2.02
Rot. Bonds1

About 8-[5-(trifluoromethyl)-2-pyridinyl]-7H-purin-6-amine

8-[5-(trifluoromethyl)-2-pyridinyl]-7H-purin-6-amine (PubChem CID 114909132) has the molecular formula C11H7F3N6 and a molecular weight of 280.21 g/mol. Its IUPAC name is 8-[5-(trifluoromethyl)-2-pyridinyl]-7H-purin-6-amine.

Molecular Properties

Compound Name8-[5-(trifluoromethyl)-2-pyridinyl]-7H-purin-6-amine
PubChem CID114909132
Molecular FormulaC11H7F3N6
Molecular Weight280.21 g/mol
Exact Mass280.07
IUPAC Name8-[5-(trifluoromethyl)-2-pyridinyl]-7H-purin-6-amine
SMILESNc1ncnc2nc(-c3ccc(C(F)(F)F)cn3)[nH]c12
InChIInChI=1S/C11H7F3N6/c12-11(13,14)5-1-2-6(16-3-5)9-19-7-8(15)17-4-18-10(7)20-9/h1-4H,(H3,15,17,18,19,20)
InChIKeyHGPUWCHEAFIOGE-UHFFFAOYSA-N
XLogP2.02
TPSA93.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.21
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

8-[5-(trifluoromethyl)-2-pyridinyl]-7H-purine
CID 114909130
8-[2-bromo-5-(trifluoromethyl)phenyl]-7H-purin-6-amine
CID 114608257
8-[2-(trifluoromethyl)phenyl]-7H-purin-6-amine
CID 114608201
8-(trifluoromethyl)-7H-purin-6-amine
CID 3635406
8-quinolin-2-yl-7H-purin-6-amine
CID 114608266
5-[5-(trifluoromethyl)-2-pyridinyl]-1H-1,2,4-triazol-3-amine
CID 114908388
methyl 2-[5-(trifluoromethyl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridine-7-carboxylate
CID 167870504
2-[5-(trifluoromethyl)-2-pyridinyl]-3H-imidazo[4,5-c]pyridine
CID 114909106
8-(3,5-dimethylphenyl)-7H-purin-6-amine
CID 114608308
6-bromo-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-benzimidazol-4-amine
CID 114909040
5,6-dichloro-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-benzimidazole
CID 114909125
8-(5-chlorothiophen-2-yl)-7H-purin-6-amine
CID 114608421

Frequently Asked Questions

What is the IUPAC name of 8-[5-(trifluoromethyl)-2-pyridinyl]-7H-purin-6-amine?
The IUPAC name of 8-[5-(trifluoromethyl)-2-pyridinyl]-7H-purin-6-amine (CID 114909132) is 8-[5-(trifluoromethyl)-2-pyridinyl]-7H-purin-6-amine.
What is the SMILES notation for 8-[5-(trifluoromethyl)-2-pyridinyl]-7H-purin-6-amine?
The canonical SMILES for 8-[5-(trifluoromethyl)-2-pyridinyl]-7H-purin-6-amine is Nc1ncnc2nc(-c3ccc(C(F)(F)F)cn3)[nH]c12.
What is the InChIKey of 8-[5-(trifluoromethyl)-2-pyridinyl]-7H-purin-6-amine?
The InChIKey is HGPUWCHEAFIOGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F3N6/c12-11(13,14)5-1-2-6(16-3-5)9-19-7-8(15)17-4-18-10(7)20-9/h1-4H,(H3,15,17,18,19,20).
What are the key properties of 8-[5-(trifluoromethyl)-2-pyridinyl]-7H-purin-6-amine?
8-[5-(trifluoromethyl)-2-pyridinyl]-7H-purin-6-amine has a molecular weight of 280.21 g/mol, XLogP of 2.02, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[5-(trifluoromethyl)-2-pyridinyl]-7H-purin-6-amine is sourced from PubChem (CID 114909132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).