9-cyclopentyl-6-(3,3,3-trifluoropropyl)purine

C13H15F3N4 — CID 69254435

IUPAC9-cyclopentyl-6-(3,3,3-trifluoropropyl)purine
SMILESFC(F)(F)CCc1ncnc2c1ncn2C1CCCC1
InChIInChI=1S/C13H15F3N4/c14-13(15,16)6-5-10-11-12(18-7-17-10)20(8-19-11)9-3-1-2-4-9/h7-9H,1-6H2
InChIKeyXMNQBPRKMOUOGU-UHFFFAOYSA-N
MW284.29 g/mol
LogP3.44
Rot. Bonds3

About 9-cyclopentyl-6-(3,3,3-trifluoropropyl)purine

9-cyclopentyl-6-(3,3,3-trifluoropropyl)purine (PubChem CID 69254435) has the molecular formula C13H15F3N4 and a molecular weight of 284.29 g/mol. Its IUPAC name is 9-cyclopentyl-6-(3,3,3-trifluoropropyl)purine.

Molecular Properties

Compound Name9-cyclopentyl-6-(3,3,3-trifluoropropyl)purine
PubChem CID69254435
Molecular FormulaC13H15F3N4
Molecular Weight284.29 g/mol
Exact Mass284.12
IUPAC Name9-cyclopentyl-6-(3,3,3-trifluoropropyl)purine
SMILESFC(F)(F)CCc1ncnc2c1ncn2C1CCCC1
InChIInChI=1S/C13H15F3N4/c14-13(15,16)6-5-10-11-12(18-7-17-10)20(8-19-11)9-3-1-2-4-9/h7-9H,1-6H2
InChIKeyXMNQBPRKMOUOGU-UHFFFAOYSA-N
XLogP3.44
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[cyclopentyl-(9-cyclopentylpurin-6-yl)amino]methanol
CID 174369638
6-[2-(furan-2-yl)ethyl]-9-(oxan-2-yl)purine
CID 118310061
9-cyclopentyl-N-pentylpurin-6-amine
CID 142647479
6-(2,2-dimethylpropyl)-9-(oxan-2-yl)purine
CID 15277786
9-[(3S)-piperidin-3-yl]purin-6-amine
CID 51050700
N-(2-cyclohex-2-en-1-ylethyl)-9-cyclopentylpurin-6-amine
CID 44591064
9-cycloheptyl-N-methyl-2-(trifluoromethyl)purin-6-amine
CID 10267710
6-bromo-3-cyclohexyl-7-methylimidazo[4,5-b]pyridine
CID 74789553
(2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-propylpurin-9-yl)oxolane-3,4-diol
CID 57398955
2-[4-(9-cyclopropylpurin-6-yl)piperazin-1-yl]-4-(trifluoromethyl)-1,3-thiazole
CID 155980603
9-cyclopropyl-6-(3-methylpiperidin-1-yl)purine
CID 163354022
9-cyclopropyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)purine
CID 154829192

Frequently Asked Questions

What is the IUPAC name of 9-cyclopentyl-6-(3,3,3-trifluoropropyl)purine?
The IUPAC name of 9-cyclopentyl-6-(3,3,3-trifluoropropyl)purine (CID 69254435) is 9-cyclopentyl-6-(3,3,3-trifluoropropyl)purine.
What is the SMILES notation for 9-cyclopentyl-6-(3,3,3-trifluoropropyl)purine?
The canonical SMILES for 9-cyclopentyl-6-(3,3,3-trifluoropropyl)purine is FC(F)(F)CCc1ncnc2c1ncn2C1CCCC1.
What is the InChIKey of 9-cyclopentyl-6-(3,3,3-trifluoropropyl)purine?
The InChIKey is XMNQBPRKMOUOGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N4/c14-13(15,16)6-5-10-11-12(18-7-17-10)20(8-19-11)9-3-1-2-4-9/h7-9H,1-6H2.
What are the key properties of 9-cyclopentyl-6-(3,3,3-trifluoropropyl)purine?
9-cyclopentyl-6-(3,3,3-trifluoropropyl)purine has a molecular weight of 284.29 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-cyclopentyl-6-(3,3,3-trifluoropropyl)purine is sourced from PubChem (CID 69254435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).