9-(1-cyclopentylethyl)-N-cyclopropyl-2-(trifluoromethyl)purin-6-amine

C16H20F3N5 — CID 68524834

IUPAC9-(1-cyclopentylethyl)-N-cyclopropyl-2-(trifluoromethyl)purin-6-amine
SMILESCC(C1CCCC1)n1cnc2c(NC3CC3)nc(C(F)(F)F)nc21
InChIInChI=1S/C16H20F3N5/c1-9(10-4-2-3-5-10)24-8-20-12-13(21-11-6-7-11)22-15(16(17,18)19)23-14(12)24/h8-11H,2-7H2,1H3,(H,21,22,23)
InChIKeyQZWIKWUJIZAWBJ-UHFFFAOYSA-N
MW339.37 g/mol
LogP4.17
Rot. Bonds4

About 9-(1-cyclopentylethyl)-N-cyclopropyl-2-(trifluoromethyl)purin-6-amine

9-(1-cyclopentylethyl)-N-cyclopropyl-2-(trifluoromethyl)purin-6-amine (PubChem CID 68524834) has the molecular formula C16H20F3N5 and a molecular weight of 339.37 g/mol. Its IUPAC name is 9-(1-cyclopentylethyl)-N-cyclopropyl-2-(trifluoromethyl)purin-6-amine.

Molecular Properties

Compound Name9-(1-cyclopentylethyl)-N-cyclopropyl-2-(trifluoromethyl)purin-6-amine
PubChem CID68524834
Molecular FormulaC16H20F3N5
Molecular Weight339.37 g/mol
Exact Mass339.17
IUPAC Name9-(1-cyclopentylethyl)-N-cyclopropyl-2-(trifluoromethyl)purin-6-amine
SMILESCC(C1CCCC1)n1cnc2c(NC3CC3)nc(C(F)(F)F)nc21
InChIInChI=1S/C16H20F3N5/c1-9(10-4-2-3-5-10)24-8-20-12-13(21-11-6-7-11)22-15(16(17,18)19)23-14(12)24/h8-11H,2-7H2,1H3,(H,21,22,23)
InChIKeyQZWIKWUJIZAWBJ-UHFFFAOYSA-N
XLogP4.17
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

9-Cyclopentyladenine
CID 12852
N-Cyclopentyl-9-methyl-9H-purin-6-amine
CID 4401
2-N-(4-aminocyclohexyl)-9-cyclopentyl-6-N-(cyclopropylmethyl)-9H-purine-2,6-diamine
CID 10067698
N-Cyclohexyl-9-methyl-9H-purin-6-amine
CID 15693939
N-cyclopentyl-9-ethyl-9H-purin-6-amine
CID 15693948
9-butyl-6-(hexylamino)-9H-purine-2-carbonitrile
CID 24778050
Cyclohexyl-(9-ethyl-9H-purin-6-yl)-amine
CID 15693949
N-0861 racemate
CID 9837708
6-Cyclohexylamino-9-cyclopentyl-purine-2-carbonitrile
CID 9883178
(2-Chloro-9-methyl-9H-purin-6-yl)-cyclopentyl-amine
CID 15693955
N 0861
CID 126615
9H-Purin-6-amine, N-cyclopropyl-9-(cyclopropylmethyl)-2-(trifluoromethyl)-
CID 3075664

Frequently Asked Questions

What is the IUPAC name of 9-(1-cyclopentylethyl)-N-cyclopropyl-2-(trifluoromethyl)purin-6-amine?
The IUPAC name of 9-(1-cyclopentylethyl)-N-cyclopropyl-2-(trifluoromethyl)purin-6-amine (CID 68524834) is 9-(1-cyclopentylethyl)-N-cyclopropyl-2-(trifluoromethyl)purin-6-amine.
What is the SMILES notation for 9-(1-cyclopentylethyl)-N-cyclopropyl-2-(trifluoromethyl)purin-6-amine?
The canonical SMILES for 9-(1-cyclopentylethyl)-N-cyclopropyl-2-(trifluoromethyl)purin-6-amine is CC(C1CCCC1)n1cnc2c(NC3CC3)nc(C(F)(F)F)nc21.
What is the InChIKey of 9-(1-cyclopentylethyl)-N-cyclopropyl-2-(trifluoromethyl)purin-6-amine?
The InChIKey is QZWIKWUJIZAWBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3N5/c1-9(10-4-2-3-5-10)24-8-20-12-13(21-11-6-7-11)22-15(16(17,18)19)23-14(12)24/h8-11H,2-7H2,1H3,(H,21,22,23).
What are the key properties of 9-(1-cyclopentylethyl)-N-cyclopropyl-2-(trifluoromethyl)purin-6-amine?
9-(1-cyclopentylethyl)-N-cyclopropyl-2-(trifluoromethyl)purin-6-amine has a molecular weight of 339.37 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(1-cyclopentylethyl)-N-cyclopropyl-2-(trifluoromethyl)purin-6-amine is sourced from PubChem (CID 68524834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).