8-[4-(trifluoromethyl)cyclohexyl]-7H-purine

C12H13F3N4 — CID 114402527

IUPAC8-[4-(trifluoromethyl)cyclohexyl]-7H-purine
SMILESFC(F)(F)C1CCC(c2nc3ncncc3[nH]2)CC1
InChIInChI=1S/C12H13F3N4/c13-12(14,15)8-3-1-7(2-4-8)10-18-9-5-16-6-17-11(9)19-10/h5-8H,1-4H2,(H,16,17,18,19)
InChIKeyKACZJRYNBJUCSX-UHFFFAOYSA-N
MW270.26 g/mol
LogP3.19
Rot. Bonds1

About 8-[4-(trifluoromethyl)cyclohexyl]-7H-purine

8-[4-(trifluoromethyl)cyclohexyl]-7H-purine (PubChem CID 114402527) has the molecular formula C12H13F3N4 and a molecular weight of 270.26 g/mol. Its IUPAC name is 8-[4-(trifluoromethyl)cyclohexyl]-7H-purine.

Molecular Properties

Compound Name8-[4-(trifluoromethyl)cyclohexyl]-7H-purine
PubChem CID114402527
Molecular FormulaC12H13F3N4
Molecular Weight270.26 g/mol
Exact Mass270.11
IUPAC Name8-[4-(trifluoromethyl)cyclohexyl]-7H-purine
SMILESFC(F)(F)C1CCC(c2nc3ncncc3[nH]2)CC1
InChIInChI=1S/C12H13F3N4/c13-12(14,15)8-3-1-7(2-4-8)10-18-9-5-16-6-17-11(9)19-10/h5-8H,1-4H2,(H,16,17,18,19)
InChIKeyKACZJRYNBJUCSX-UHFFFAOYSA-N
XLogP3.19
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.26
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(7H-purin-8-yl)cyclopentan-1-amine
CID 114402064
3-(7H-purin-8-yl)-1,2,3,4-tetrahydroquinoline
CID 106902586
8-(4-cyclopropylphenyl)-7H-purine
CID 167906113
N-cyclopentyl-7H-purin-8-amine
CID 18381420
N-(trifluoromethyl)-7H-purin-8-amine
CID 69440803
8-[4-(trifluoromethyl)cyclohexyl]-3,7-dihydropurine-2,6-dione
CID 114402832
6-chloro-2-cyclohexyl-1H-imidazo[4,5-b]pyridine
CID 82142257
8-(2,3-dihydro-1,4-benzodioxin-3-yl)-7H-purine
CID 114402597
1-(7H-purin-8-yl)-1,2,3,4-tetrahydroisoquinoline
CID 114401911
2-cyclobutyl-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
CID 80503887
(2R,3S,4R)-2-methyl-5-(7H-purin-8-yl)oxolane-3,4-diol
CID 70011183
(8-cyclobutyl-7H-purin-2-yl)methanol
CID 67750087

Frequently Asked Questions

What is the IUPAC name of 8-[4-(trifluoromethyl)cyclohexyl]-7H-purine?
The IUPAC name of 8-[4-(trifluoromethyl)cyclohexyl]-7H-purine (CID 114402527) is 8-[4-(trifluoromethyl)cyclohexyl]-7H-purine.
What is the SMILES notation for 8-[4-(trifluoromethyl)cyclohexyl]-7H-purine?
The canonical SMILES for 8-[4-(trifluoromethyl)cyclohexyl]-7H-purine is FC(F)(F)C1CCC(c2nc3ncncc3[nH]2)CC1.
What is the InChIKey of 8-[4-(trifluoromethyl)cyclohexyl]-7H-purine?
The InChIKey is KACZJRYNBJUCSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N4/c13-12(14,15)8-3-1-7(2-4-8)10-18-9-5-16-6-17-11(9)19-10/h5-8H,1-4H2,(H,16,17,18,19).
What are the key properties of 8-[4-(trifluoromethyl)cyclohexyl]-7H-purine?
8-[4-(trifluoromethyl)cyclohexyl]-7H-purine has a molecular weight of 270.26 g/mol, XLogP of 3.19, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-(trifluoromethyl)cyclohexyl]-7H-purine is sourced from PubChem (CID 114402527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).