6-chloro-7-[2-(trifluoromethoxy)phenyl]purin-8-amine

C12H7ClF3N5O — CID 132588175

IUPAC6-chloro-7-[2-(trifluoromethoxy)phenyl]purin-8-amine
SMILESNc1nc2ncnc(Cl)c2n1-c1ccccc1OC(F)(F)F
InChIInChI=1S/C12H7ClF3N5O/c13-9-8-10(19-5-18-9)20-11(17)21(8)6-3-1-2-4-7(6)22-12(14,15)16/h1-5H,(H2,17,18,19,20)
InChIKeyWCFLBTFNDGOCSX-UHFFFAOYSA-N
MW329.67 g/mol
LogP2.95
Rot. Bonds2

About 6-chloro-7-[2-(trifluoromethoxy)phenyl]purin-8-amine

6-chloro-7-[2-(trifluoromethoxy)phenyl]purin-8-amine (PubChem CID 132588175) has the molecular formula C12H7ClF3N5O and a molecular weight of 329.67 g/mol. Its IUPAC name is 6-chloro-7-[2-(trifluoromethoxy)phenyl]purin-8-amine.

Molecular Properties

Compound Name6-chloro-7-[2-(trifluoromethoxy)phenyl]purin-8-amine
PubChem CID132588175
Molecular FormulaC12H7ClF3N5O
Molecular Weight329.67 g/mol
Exact Mass329.03
IUPAC Name6-chloro-7-[2-(trifluoromethoxy)phenyl]purin-8-amine
SMILESNc1nc2ncnc(Cl)c2n1-c1ccccc1OC(F)(F)F
InChIInChI=1S/C12H7ClF3N5O/c13-9-8-10(19-5-18-9)20-11(17)21(8)6-3-1-2-4-7(6)22-12(14,15)16/h1-5H,(H2,17,18,19,20)
InChIKeyWCFLBTFNDGOCSX-UHFFFAOYSA-N
XLogP2.95
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.67
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-chloro-7-[2-(trifluoromethoxy)phenyl]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

Related Compounds

2-(trifluoromethoxy)aniline;dihydrochloride
CID 69022411
2,3-dichloro-4-[2-(trifluoromethoxy)phenyl]pyridine
CID 119003076
(1S)-2,2,2-trifluoro-1-[2-(trifluoromethoxy)phenyl]ethanamine;hydrochloride
CID 171249788
(1R)-2,2,2-trifluoro-1-[2-(trifluoromethoxy)phenyl]ethanamine;hydrochloride
CID 171243055
6-chloro-3-(trifluoromethoxy)pyridin-2-amine
CID 118991079
6-chloro-7-phenylpurine
CID 132587997
4-amino-6-[1-[2-(trifluoromethoxy)phenyl]indol-5-yl]-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-5-one
CID 74763213
2-(trifluoromethoxy)benzenethiolate
CID 6933712
(2-chlorofuran-3-yl)-[2-(trifluoromethoxy)phenyl]methanamine
CID 106691908
1-[2-(trifluoromethoxy)phenyl]imidazolidin-2-one
CID 115370438
2,4-dichloro-3-[2-(trifluoromethoxy)phenyl]pyridine
CID 134617905
7-chloro-1-(2-chlorophenyl)benzimidazol-2-amine
CID 43661829

Frequently Asked Questions

What is the IUPAC name of 6-chloro-7-[2-(trifluoromethoxy)phenyl]purin-8-amine?
The IUPAC name of 6-chloro-7-[2-(trifluoromethoxy)phenyl]purin-8-amine (CID 132588175) is 6-chloro-7-[2-(trifluoromethoxy)phenyl]purin-8-amine.
What is the SMILES notation for 6-chloro-7-[2-(trifluoromethoxy)phenyl]purin-8-amine?
The canonical SMILES for 6-chloro-7-[2-(trifluoromethoxy)phenyl]purin-8-amine is Nc1nc2ncnc(Cl)c2n1-c1ccccc1OC(F)(F)F.
What is the InChIKey of 6-chloro-7-[2-(trifluoromethoxy)phenyl]purin-8-amine?
The InChIKey is WCFLBTFNDGOCSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClF3N5O/c13-9-8-10(19-5-18-9)20-11(17)21(8)6-3-1-2-4-7(6)22-12(14,15)16/h1-5H,(H2,17,18,19,20).
What are the key properties of 6-chloro-7-[2-(trifluoromethoxy)phenyl]purin-8-amine?
6-chloro-7-[2-(trifluoromethoxy)phenyl]purin-8-amine has a molecular weight of 329.67 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-7-[2-(trifluoromethoxy)phenyl]purin-8-amine is sourced from PubChem (CID 132588175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).