6-[4-(trifluoromethyl)phenyl]-7H-purine

C12H7F3N4 — CID 154460741

IUPAC6-[4-(trifluoromethyl)phenyl]-7H-purine
SMILESFC(F)(F)c1ccc(-c2ncnc3nc[nH]c23)cc1
InChIInChI=1S/C12H7F3N4/c13-12(14,15)8-3-1-7(2-4-8)9-10-11(18-5-16-9)19-6-17-10/h1-6H,(H,16,17,18,19)
InChIKeyMCIWTCYWDKRVRW-UHFFFAOYSA-N
MW264.21 g/mol
LogP3.04
Rot. Bonds1

About 6-[4-(trifluoromethyl)phenyl]-7H-purine

6-[4-(trifluoromethyl)phenyl]-7H-purine (PubChem CID 154460741) has the molecular formula C12H7F3N4 and a molecular weight of 264.21 g/mol. Its IUPAC name is 6-[4-(trifluoromethyl)phenyl]-7H-purine.

Molecular Properties

Compound Name6-[4-(trifluoromethyl)phenyl]-7H-purine
PubChem CID154460741
Molecular FormulaC12H7F3N4
Molecular Weight264.21 g/mol
Exact Mass264.06
IUPAC Name6-[4-(trifluoromethyl)phenyl]-7H-purine
SMILESFC(F)(F)c1ccc(-c2ncnc3nc[nH]c23)cc1
InChIInChI=1S/C12H7F3N4/c13-12(14,15)8-3-1-7(2-4-8)9-10-11(18-5-16-9)19-6-17-10/h1-6H,(H,16,17,18,19)
InChIKeyMCIWTCYWDKRVRW-UHFFFAOYSA-N
XLogP3.04
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.21
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-chloro-5-(trifluoromethyl)phenyl]-4-(7H-purin-6-yl)pyrrole-2-carbonitrile
CID 90034315
6-[4-(2-methoxyethoxy)phenyl]-7H-purine
CID 122559987
6-(1,3-benzodioxol-5-yl)-7H-purine
CID 119064876
N-[4-(7H-purin-6-yl)phenyl]ethanesulfonamide
CID 172688411
[5-(7H-purin-6-yl)pyrimidin-2-yl]methanamine
CID 96602690
3-fluoro-N-[[4-(7H-purin-6-yl)phenyl]methyl]aniline
CID 175807717
6-(3-chloropyridazin-4-yl)-7H-purine
CID 164905912
6-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]-7H-purine
CID 133446315
2-chloro-N-[4-(trifluoromethyl)phenyl]-7H-purin-6-amine
CID 104787085
6-chloro-7H-purine
CID 53349102
N-(trideuteriomethyl)-7H-purin-6-amine
CID 169443443
N-[2-(trifluoromethyl)-4-pyridinyl]-7H-purin-6-amine
CID 164805836

Frequently Asked Questions

What is the IUPAC name of 6-[4-(trifluoromethyl)phenyl]-7H-purine?
The IUPAC name of 6-[4-(trifluoromethyl)phenyl]-7H-purine (CID 154460741) is 6-[4-(trifluoromethyl)phenyl]-7H-purine.
What is the SMILES notation for 6-[4-(trifluoromethyl)phenyl]-7H-purine?
The canonical SMILES for 6-[4-(trifluoromethyl)phenyl]-7H-purine is FC(F)(F)c1ccc(-c2ncnc3nc[nH]c23)cc1.
What is the InChIKey of 6-[4-(trifluoromethyl)phenyl]-7H-purine?
The InChIKey is MCIWTCYWDKRVRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F3N4/c13-12(14,15)8-3-1-7(2-4-8)9-10-11(18-5-16-9)19-6-17-10/h1-6H,(H,16,17,18,19).
What are the key properties of 6-[4-(trifluoromethyl)phenyl]-7H-purine?
6-[4-(trifluoromethyl)phenyl]-7H-purine has a molecular weight of 264.21 g/mol, XLogP of 3.04, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(trifluoromethyl)phenyl]-7H-purine is sourced from PubChem (CID 154460741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).