5-[8-(3-fluorophenyl)-2-[2-(2-fluorophenyl)ethyl]purin-9-yl]pentan-1-amine

C24H25F2N5 — CID 58155750

IUPAC5-[8-(3-fluorophenyl)-2-[2-(2-fluorophenyl)ethyl]purin-9-yl]pentan-1-amine
SMILESNCCCCCn1c(-c2cccc(F)c2)nc2cnc(CCc3ccccc3F)nc21
InChIInChI=1S/C24H25F2N5/c25-19-9-6-8-18(15-19)23-29-21-16-28-22(12-11-17-7-2-3-10-20(17)26)30-24(21)31(23)14-5-1-4-13-27/h2-3,6-10,15-16H,1,4-5,11-14,27H2
InChIKeyMDFLPEXRZREKEN-UHFFFAOYSA-N
MW421.50 g/mol
LogP4.69
Rot. Bonds9

About 5-[8-(3-fluorophenyl)-2-[2-(2-fluorophenyl)ethyl]purin-9-yl]pentan-1-amine

5-[8-(3-fluorophenyl)-2-[2-(2-fluorophenyl)ethyl]purin-9-yl]pentan-1-amine (PubChem CID 58155750) has the molecular formula C24H25F2N5 and a molecular weight of 421.50 g/mol. Its IUPAC name is 5-[8-(3-fluorophenyl)-2-[2-(2-fluorophenyl)ethyl]purin-9-yl]pentan-1-amine.

Molecular Properties

Compound Name5-[8-(3-fluorophenyl)-2-[2-(2-fluorophenyl)ethyl]purin-9-yl]pentan-1-amine
PubChem CID58155750
Molecular FormulaC24H25F2N5
Molecular Weight421.50 g/mol
Exact Mass421.21
IUPAC Name5-[8-(3-fluorophenyl)-2-[2-(2-fluorophenyl)ethyl]purin-9-yl]pentan-1-amine
SMILESNCCCCCn1c(-c2cccc(F)c2)nc2cnc(CCc3ccccc3F)nc21
InChIInChI=1S/C24H25F2N5/c25-19-9-6-8-18(15-19)23-29-21-16-28-22(12-11-17-7-2-3-10-20(17)26)30-24(21)31(23)14-5-1-4-13-27/h2-3,6-10,15-16H,1,4-5,11-14,27H2
InChIKeyMDFLPEXRZREKEN-UHFFFAOYSA-N
XLogP4.69
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[2-(3-fluorophenyl)-6-methylimidazo[4,5-b]pyridin-3-yl]propan-1-amine
CID 82061556
3-[8-(2,6-dichlorophenyl)-2-[2-(2-fluorophenyl)ethyl]purin-9-yl]-1-piperazin-1-ylpropan-1-one
CID 58155529
8-(3-fluorophenyl)-N-[2-(2-fluorophenyl)ethyl]-9-(3-methoxyphenyl)purin-2-amine
CID 58973765
3-(5,6-difluoro-2-phenylbenzimidazol-1-yl)propan-1-amine
CID 82146184
2-[6-chloro-2-(3-fluorophenyl)imidazo[4,5-b]pyridin-3-yl]acetic acid
CID 93209838
3-(7-fluoroquinazolin-2-yl)propan-1-amine
CID 105457309
4-[6-amino-8-(3-fluorophenyl)-2-iodopurin-9-yl]butan-1-ol
CID 22133775
4-[2-(4-fluorophenyl)-5,6-dimethylbenzimidazol-1-yl]butan-1-amine
CID 94748001
1-butyl-5-ethyl-2-(3-fluorophenyl)imidazole
CID 142148555
1-[4-(4-chlorophenoxy)butyl]-2-(3-chlorophenyl)benzimidazole
CID 17002067
2-(3-fluorophenyl)-N-[2-(2-phenylimidazo[4,5-b]pyridin-3-yl)ethyl]acetamide
CID 53020252
2-[2-(3-fluorophenyl)phenyl]ethanamine;hydrochloride
CID 164885898

Frequently Asked Questions

What is the IUPAC name of 5-[8-(3-fluorophenyl)-2-[2-(2-fluorophenyl)ethyl]purin-9-yl]pentan-1-amine?
The IUPAC name of 5-[8-(3-fluorophenyl)-2-[2-(2-fluorophenyl)ethyl]purin-9-yl]pentan-1-amine (CID 58155750) is 5-[8-(3-fluorophenyl)-2-[2-(2-fluorophenyl)ethyl]purin-9-yl]pentan-1-amine.
What is the SMILES notation for 5-[8-(3-fluorophenyl)-2-[2-(2-fluorophenyl)ethyl]purin-9-yl]pentan-1-amine?
The canonical SMILES for 5-[8-(3-fluorophenyl)-2-[2-(2-fluorophenyl)ethyl]purin-9-yl]pentan-1-amine is NCCCCCn1c(-c2cccc(F)c2)nc2cnc(CCc3ccccc3F)nc21.
What is the InChIKey of 5-[8-(3-fluorophenyl)-2-[2-(2-fluorophenyl)ethyl]purin-9-yl]pentan-1-amine?
The InChIKey is MDFLPEXRZREKEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F2N5/c25-19-9-6-8-18(15-19)23-29-21-16-28-22(12-11-17-7-2-3-10-20(17)26)30-24(21)31(23)14-5-1-4-13-27/h2-3,6-10,15-16H,1,4-5,11-14,27H2.
What are the key properties of 5-[8-(3-fluorophenyl)-2-[2-(2-fluorophenyl)ethyl]purin-9-yl]pentan-1-amine?
5-[8-(3-fluorophenyl)-2-[2-(2-fluorophenyl)ethyl]purin-9-yl]pentan-1-amine has a molecular weight of 421.50 g/mol, XLogP of 4.69, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[8-(3-fluorophenyl)-2-[2-(2-fluorophenyl)ethyl]purin-9-yl]pentan-1-amine is sourced from PubChem (CID 58155750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).