9-cyclopentyl-6-methyl-2-(trifluoromethyl)purin-8-amine

C12H14F3N5 — CID 69284223

IUPAC9-cyclopentyl-6-methyl-2-(trifluoromethyl)purin-8-amine
SMILESCc1nc(C(F)(F)F)nc2c1nc(N)n2C1CCCC1
InChIInChI=1S/C12H14F3N5/c1-6-8-9(19-10(17-6)12(13,14)15)20(11(16)18-8)7-4-2-3-5-7/h7H,2-5H2,1H3,(H2,16,18)
InChIKeyXDBXSPATZWVXIL-UHFFFAOYSA-N
MW285.27 g/mol
LogP2.85
Rot. Bonds1

About 9-cyclopentyl-6-methyl-2-(trifluoromethyl)purin-8-amine

9-cyclopentyl-6-methyl-2-(trifluoromethyl)purin-8-amine (PubChem CID 69284223) has the molecular formula C12H14F3N5 and a molecular weight of 285.27 g/mol. Its IUPAC name is 9-cyclopentyl-6-methyl-2-(trifluoromethyl)purin-8-amine.

Molecular Properties

Compound Name9-cyclopentyl-6-methyl-2-(trifluoromethyl)purin-8-amine
PubChem CID69284223
Molecular FormulaC12H14F3N5
Molecular Weight285.27 g/mol
Exact Mass285.12
IUPAC Name9-cyclopentyl-6-methyl-2-(trifluoromethyl)purin-8-amine
SMILESCc1nc(C(F)(F)F)nc2c1nc(N)n2C1CCCC1
InChIInChI=1S/C12H14F3N5/c1-6-8-9(19-10(17-6)12(13,14)15)20(11(16)18-8)7-4-2-3-5-7/h7H,2-5H2,1H3,(H2,16,18)
InChIKeyXDBXSPATZWVXIL-UHFFFAOYSA-N
XLogP2.85
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.27
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-cyclopentyl-6-methyl-2-(trifluoromethyl)purin-8-amine?
The IUPAC name of 9-cyclopentyl-6-methyl-2-(trifluoromethyl)purin-8-amine (CID 69284223) is 9-cyclopentyl-6-methyl-2-(trifluoromethyl)purin-8-amine.
What is the SMILES notation for 9-cyclopentyl-6-methyl-2-(trifluoromethyl)purin-8-amine?
The canonical SMILES for 9-cyclopentyl-6-methyl-2-(trifluoromethyl)purin-8-amine is Cc1nc(C(F)(F)F)nc2c1nc(N)n2C1CCCC1.
What is the InChIKey of 9-cyclopentyl-6-methyl-2-(trifluoromethyl)purin-8-amine?
The InChIKey is XDBXSPATZWVXIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N5/c1-6-8-9(19-10(17-6)12(13,14)15)20(11(16)18-8)7-4-2-3-5-7/h7H,2-5H2,1H3,(H2,16,18).
What are the key properties of 9-cyclopentyl-6-methyl-2-(trifluoromethyl)purin-8-amine?
9-cyclopentyl-6-methyl-2-(trifluoromethyl)purin-8-amine has a molecular weight of 285.27 g/mol, XLogP of 2.85, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-cyclopentyl-6-methyl-2-(trifluoromethyl)purin-8-amine is sourced from PubChem (CID 69284223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).