8-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]-9-(2-piperidin-4-ylethyl)purin-2-amine

C25H26F2N6 — CID 58155510

IUPAC8-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]-9-(2-piperidin-4-ylethyl)purin-2-amine
SMILESFc1ccc(-c2nc3cnc(NCc4ccccc4F)nc3n2CCC2CCNCC2)cc1
InChIInChI=1S/C25H26F2N6/c26-20-7-5-18(6-8-20)23-31-22-16-30-25(29-15-19-3-1-2-4-21(19)27)32-24(22)33(23)14-11-17-9-12-28-13-10-17/h1-8,16-17,28H,9-15H2,(H,29,30,32)
InChIKeyXTYZGEGPMXHNKL-UHFFFAOYSA-N
MW448.52 g/mol
LogP4.77
Rot. Bonds7

About 8-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]-9-(2-piperidin-4-ylethyl)purin-2-amine

8-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]-9-(2-piperidin-4-ylethyl)purin-2-amine (PubChem CID 58155510) has the molecular formula C25H26F2N6 and a molecular weight of 448.52 g/mol. Its IUPAC name is 8-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]-9-(2-piperidin-4-ylethyl)purin-2-amine.

Molecular Properties

Compound Name8-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]-9-(2-piperidin-4-ylethyl)purin-2-amine
PubChem CID58155510
Molecular FormulaC25H26F2N6
Molecular Weight448.52 g/mol
Exact Mass448.22
IUPAC Name8-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]-9-(2-piperidin-4-ylethyl)purin-2-amine
SMILESFc1ccc(-c2nc3cnc(NCc4ccccc4F)nc3n2CCC2CCNCC2)cc1
InChIInChI=1S/C25H26F2N6/c26-20-7-5-18(6-8-20)23-31-22-16-30-25(29-15-19-3-1-2-4-21(19)27)32-24(22)33(23)14-11-17-9-12-28-13-10-17/h1-8,16-17,28H,9-15H2,(H,29,30,32)
InChIKeyXTYZGEGPMXHNKL-UHFFFAOYSA-N
XLogP4.77
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.52
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

8-(2,4-difluorophenyl)-N-[(2-fluorophenyl)methyl]-9-(2-piperidin-4-ylethyl)purin-2-amine
CID 70794269
N-[(2-chlorophenyl)methyl]-8-(2,3-difluorophenyl)-9-(2-piperidin-4-ylethyl)purin-2-amine
CID 70794308
N-[(2-chlorophenyl)methyl]-8-(4-methylsulfonylphenyl)-9-(2-piperidin-4-ylethyl)purin-2-amine
CID 58155839
8-(2,6-dichlorophenyl)-N-[(4-fluorophenyl)methyl]-9-(2-piperidin-4-ylethyl)purin-2-amine
CID 70794263
8-(2-chlorophenyl)-N-[(2-fluorophenyl)methyl]-9-(piperidin-4-ylmethyl)purin-2-amine
CID 58155600
4-[2-[(2-chlorophenyl)methylamino]-9-(2-piperidin-4-ylethyl)purin-8-yl]-3-fluorobenzonitrile
CID 58155874
8-(2-chlorophenyl)-N-[(2-fluorophenyl)methyl]-9-(2-piperidin-3-ylethyl)purin-2-amine
CID 58155812
8-(2-fluorophenyl)-N-[(2-fluorophenyl)methyl]-9-piperidin-4-ylpurin-2-amine
CID 58155619
N-benzyl-8-(2,6-dichlorophenyl)-9-(2-piperidin-4-ylethyl)purin-2-amine
CID 58155633
N-[(2-chlorophenyl)methyl]-9-(2-cyclohexylethyl)-8-(2,4-difluorophenyl)purin-2-amine
CID 58155702
8-(2,3-difluorophenyl)-N-[(2-fluorophenyl)methyl]-9-piperidin-4-ylpurin-2-amine
CID 58155511
N-[(2-chlorophenyl)methyl]-9-(2-cyclohexylethyl)-8-(2,3-difluorophenyl)purin-2-amine
CID 58155521

Frequently Asked Questions

What is the IUPAC name of 8-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]-9-(2-piperidin-4-ylethyl)purin-2-amine?
The IUPAC name of 8-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]-9-(2-piperidin-4-ylethyl)purin-2-amine (CID 58155510) is 8-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]-9-(2-piperidin-4-ylethyl)purin-2-amine.
What is the SMILES notation for 8-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]-9-(2-piperidin-4-ylethyl)purin-2-amine?
The canonical SMILES for 8-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]-9-(2-piperidin-4-ylethyl)purin-2-amine is Fc1ccc(-c2nc3cnc(NCc4ccccc4F)nc3n2CCC2CCNCC2)cc1.
What is the InChIKey of 8-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]-9-(2-piperidin-4-ylethyl)purin-2-amine?
The InChIKey is XTYZGEGPMXHNKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F2N6/c26-20-7-5-18(6-8-20)23-31-22-16-30-25(29-15-19-3-1-2-4-21(19)27)32-24(22)33(23)14-11-17-9-12-28-13-10-17/h1-8,16-17,28H,9-15H2,(H,29,30,32).
What are the key properties of 8-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]-9-(2-piperidin-4-ylethyl)purin-2-amine?
8-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]-9-(2-piperidin-4-ylethyl)purin-2-amine has a molecular weight of 448.52 g/mol, XLogP of 4.77, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]-9-(2-piperidin-4-ylethyl)purin-2-amine is sourced from PubChem (CID 58155510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).