2-N-cyclopentyl-8-N-(2-fluorophenyl)-9-(2-methylpropyl)purine-2,8-diamine;8-N-(2-fluorophenyl)-9-(2-methylpropyl)-2-N-(2-morpholin-4-ylethyl)purine-2,8-diamine;8-N-(2-fluorophenyl)-9-(2-methylpropyl)-2-N-(oxan-4-yl)purine-2,8-diamine;8-N-(2-fluorophenyl)-2-N-(2-phenylethyl)-9-piperidin-4-ylpurine-2,8-diamine;8-N-(2-fluorophenyl)-9-phenyl-2-N-(2-phenylethyl)purine-2,8-diamine

C110H125F5N32O2 — CID 159328404

IUPAC2-N-cyclopentyl-8-N-(2-fluorophenyl)-9-(2-methylpropyl)purine-2,8-diamine;8-N-(2-fluorophenyl)-9-(2-methylpropyl)-2-N-(2-morpholin-4-ylethyl)purine-2,8-diamine;8-N-(2-fluorophenyl)-9-(2-methylpropyl)-2-N-(oxan-4-yl)purine-2,8-diamine;8-N-(2-fluorophenyl)-2-N-(2-phenylethyl)-9-piperidin-4-ylpurine-2,8-diamine;8-N-(2-fluorophenyl)-9-phenyl-2-N-(2-phenylethyl)purine-2,8-diamine
SMILESCC(C)Cn1c(Nc2ccccc2F)nc2cnc(NC3CCCC3)nc21.CC(C)Cn1c(Nc2ccccc2F)nc2cnc(NC3CCOCC3)nc21.CC(C)Cn1c(Nc2ccccc2F)nc2cnc(NCCN3CCOCC3)nc21.Fc1ccccc1Nc1nc2cnc(NCCc3ccccc3)nc2n1-c1ccccc1.Fc1ccccc1Nc1nc2cnc(NCCc3ccccc3)nc2n1C1CCNCC1
InChIInChI=1S/C25H21FN6.C24H26FN7.C21H28FN7O.C20H25FN6O.C20H25FN6/c26-20-13-7-8-14-21(20)29-25-30-22-17-28-24(27-16-15-18-9-3-1-4-10-18)31-23(22)32(25)19-11-5-2-6-12-19;25-19-8-4-5-9-20(19)29-24-30-21-16-28-23(27-15-10-17-6-2-1-3-7-17)31-22(21)32(24)18-11-13-26-14-12-18;1-15(2)14-29-19-18(26-21(29)25-17-6-4-3-5-16(17)22)13-24-20(27-19)23-7-8-28-9-11-30-12-10-28;1-13(2)12-27-18-17(25-20(27)24-16-6-4-3-5-15(16)21)11-22-19(26-18)23-14-7-9-28-10-8-14;1-13(2)12-27-18-17(11-22-19(26-18)23-14-7-3-4-8-14)25-20(27)24-16-10-6-5-9-15(16)21/h1-14,17H,15-16H2,(H,29,30)(H,27,28,31);1-9,16,18,26H,10-15H2,(H,29,30)(H,27,28,31);3-6,13,15H,7-12,14H2,1-2H3,(H,25,26)(H,23,24,27);3-6,11,13-14H,7-10,12H2,1-2H3,(H,24,25)(H,22,23,26);5-6,9-11,13-14H,3-4,7-8,12H2,1-2H3,(H,24,25)(H,22,23,26)
InChIKeyLEQYNHNFAOCKHM-UHFFFAOYSA-N
MW2022.42 g/mol
LogP21.43
Rot. Bonds34

About 2-N-cyclopentyl-8-N-(2-fluorophenyl)-9-(2-methylpropyl)purine-2,8-diamine;8-N-(2-fluorophenyl)-9-(2-methylpropyl)-2-N-(2-morpholin-4-ylethyl)purine-2,8-diamine;8-N-(2-fluorophenyl)-9-(2-methylpropyl)-2-N-(oxan-4-yl)purine-2,8-diamine;8-N-(2-fluorophenyl)-2-N-(2-phenylethyl)-9-piperidin-4-ylpurine-2,8-diamine;8-N-(2-fluorophenyl)-9-phenyl-2-N-(2-phenylethyl)purine-2,8-diamine

2-N-cyclopentyl-8-N-(2-fluorophenyl)-9-(2-methylpropyl)purine-2,8-diamine;8-N-(2-fluorophenyl)-9-(2-methylpropyl)-2-N-(2-morpholin-4-ylethyl)purine-2,8-diamine;8-N-(2-fluorophenyl)-9-(2-methylpropyl)-2-N-(oxan-4-yl)purine-2,8-diamine;8-N-(2-fluorophenyl)-2-N-(2-phenylethyl)-9-piperidin-4-ylpurine-2,8-diamine;8-N-(2-fluorophenyl)-9-phenyl-2-N-(2-phenylethyl)purine-2,8-diamine (PubChem CID 159328404) has the molecular formula C110H125F5N32O2 and a molecular weight of 2022.42 g/mol. Its IUPAC name is 2-N-cyclopentyl-8-N-(2-fluorophenyl)-9-(2-methylpropyl)purine-2,8-diamine;8-N-(2-fluorophenyl)-9-(2-methylpropyl)-2-N-(2-morpholin-4-ylethyl)purine-2,8-diamine;8-N-(2-fluorophenyl)-9-(2-methylpropyl)-2-N-(oxan-4-yl)purine-2,8-diamine;8-N-(2-fluorophenyl)-2-N-(2-phenylethyl)-9-piperidin-4-ylpurine-2,8-diamine;8-N-(2-fluorophenyl)-9-phenyl-2-N-(2-phenylethyl)purine-2,8-diamine.

Molecular Properties

Compound Name2-N-cyclopentyl-8-N-(2-fluorophenyl)-9-(2-methylpropyl)purine-2,8-diamine;8-N-(2-fluorophenyl)-9-(2-methylpropyl)-2-N-(2-morpholin-4-ylethyl)purine-2,8-diamine;8-N-(2-fluorophenyl)-9-(2-methylpropyl)-2-N-(oxan-4-yl)purine-2,8-diamine;8-N-(2-fluorophenyl)-2-N-(2-phenylethyl)-9-piperidin-4-ylpurine-2,8-diamine;8-N-(2-fluorophenyl)-9-phenyl-2-N-(2-phenylethyl)purine-2,8-diamine
PubChem CID159328404
Molecular FormulaC110H125F5N32O2
Molecular Weight2022.42 g/mol
Exact Mass2021.06
IUPAC Name2-N-cyclopentyl-8-N-(2-fluorophenyl)-9-(2-methylpropyl)purine-2,8-diamine;8-N-(2-fluorophenyl)-9-(2-methylpropyl)-2-N-(2-morpholin-4-ylethyl)purine-2,8-diamine;8-N-(2-fluorophenyl)-9-(2-methylpropyl)-2-N-(oxan-4-yl)purine-2,8-diamine;8-N-(2-fluorophenyl)-2-N-(2-phenylethyl)-9-piperidin-4-ylpurine-2,8-diamine;8-N-(2-fluorophenyl)-9-phenyl-2-N-(2-phenylethyl)purine-2,8-diamine
SMILESCC(C)Cn1c(Nc2ccccc2F)nc2cnc(NC3CCCC3)nc21.CC(C)Cn1c(Nc2ccccc2F)nc2cnc(NC3CCOCC3)nc21.CC(C)Cn1c(Nc2ccccc2F)nc2cnc(NCCN3CCOCC3)nc21.Fc1ccccc1Nc1nc2cnc(NCCc3ccccc3)nc2n1-c1ccccc1.Fc1ccccc1Nc1nc2cnc(NCCc3ccccc3)nc2n1C1CCNCC1
InChIInChI=1S/C25H21FN6.C24H26FN7.C21H28FN7O.C20H25FN6O.C20H25FN6/c26-20-13-7-8-14-21(20)29-25-30-22-17-28-24(27-16-15-18-9-3-1-4-10-18)31-23(22)32(25)19-11-5-2-6-12-19;25-19-8-4-5-9-20(19)29-24-30-21-16-28-23(27-15-10-17-6-2-1-3-7-17)31-22(21)32(24)18-11-13-26-14-12-18;1-15(2)14-29-19-18(26-21(29)25-17-6-4-3-5-16(17)22)13-24-20(27-19)23-7-8-28-9-11-30-12-10-28;1-13(2)12-27-18-17(25-20(27)24-16-6-4-3-5-15(16)21)11-22-19(26-18)23-14-7-9-28-10-8-14;1-13(2)12-27-18-17(11-22-19(26-18)23-14-7-3-4-8-14)25-20(27)24-16-10-6-5-9-15(16)21/h1-14,17H,15-16H2,(H,29,30)(H,27,28,31);1-9,16,18,26H,10-15H2,(H,29,30)(H,27,28,31);3-6,13,15H,7-12,14H2,1-2H3,(H,25,26)(H,23,24,27);3-6,11,13-14H,7-10,12H2,1-2H3,(H,24,25)(H,22,23,26);5-6,9-11,13-14H,3-4,7-8,12H2,1-2H3,(H,24,25)(H,22,23,26)
InChIKeyLEQYNHNFAOCKHM-UHFFFAOYSA-N
XLogP21.43
TPSA372.03 Ų
H-Bond Donors11
H-Bond Acceptors34
Rotatable Bonds34
Heavy Atoms149
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002022.42
LogP ≤ 521.43
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1034

Analyze 2-N-cyclopentyl-8-N-(2-fluorophenyl)-9-(2-methylpropyl)purine-2,8-diamine;8-N-(2-fluorophenyl)-9-(2-methylpropyl)-2-N-(2-morpholin-4-ylethyl)purine-2,8-diamine;8-N-(2-fluorophenyl)-9-(2-methylpropyl)-2-N-(oxan-4-yl)purine-2,8-diamine;8-N-(2-fluorophenyl)-2-N-(2-phenylethyl)-9-piperidin-4-ylpurine-2,8-diamine;8-N-(2-fluorophenyl)-9-phenyl-2-N-(2-phenylethyl)purine-2,8-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-N-cyclopentyl-8-N-(2-fluorophenyl)-9-(2-methylpropyl)purine-2,8-diamine;8-N-(2-fluorophenyl)-9-(2-methylpropyl)-2-N-(2-morpholin-4-ylethyl)purine-2,8-diamine;8-N-(2-fluorophenyl)-9-(2-methylpropyl)-2-N-(oxan-4-yl)purine-2,8-diamine;8-N-(2-fluorophenyl)-2-N-(2-phenylethyl)-9-piperidin-4-ylpurine-2,8-diamine;8-N-(2-fluorophenyl)-9-phenyl-2-N-(2-phenylethyl)purine-2,8-diamine?
The IUPAC name of 2-N-cyclopentyl-8-N-(2-fluorophenyl)-9-(2-methylpropyl)purine-2,8-diamine;8-N-(2-fluorophenyl)-9-(2-methylpropyl)-2-N-(2-morpholin-4-ylethyl)purine-2,8-diamine;8-N-(2-fluorophenyl)-9-(2-methylpropyl)-2-N-(oxan-4-yl)purine-2,8-diamine;8-N-(2-fluorophenyl)-2-N-(2-phenylethyl)-9-piperidin-4-ylpurine-2,8-diamine;8-N-(2-fluorophenyl)-9-phenyl-2-N-(2-phenylethyl)purine-2,8-diamine (CID 159328404) is 2-N-cyclopentyl-8-N-(2-fluorophenyl)-9-(2-methylpropyl)purine-2,8-diamine;8-N-(2-fluorophenyl)-9-(2-methylpropyl)-2-N-(2-morpholin-4-ylethyl)purine-2,8-diamine;8-N-(2-fluorophenyl)-9-(2-methylpropyl)-2-N-(oxan-4-yl)purine-2,8-diamine;8-N-(2-fluorophenyl)-2-N-(2-phenylethyl)-9-piperidin-4-ylpurine-2,8-diamine;8-N-(2-fluorophenyl)-9-phenyl-2-N-(2-phenylethyl)purine-2,8-diamine.
What is the SMILES notation for 2-N-cyclopentyl-8-N-(2-fluorophenyl)-9-(2-methylpropyl)purine-2,8-diamine;8-N-(2-fluorophenyl)-9-(2-methylpropyl)-2-N-(2-morpholin-4-ylethyl)purine-2,8-diamine;8-N-(2-fluorophenyl)-9-(2-methylpropyl)-2-N-(oxan-4-yl)purine-2,8-diamine;8-N-(2-fluorophenyl)-2-N-(2-phenylethyl)-9-piperidin-4-ylpurine-2,8-diamine;8-N-(2-fluorophenyl)-9-phenyl-2-N-(2-phenylethyl)purine-2,8-diamine?
The canonical SMILES for 2-N-cyclopentyl-8-N-(2-fluorophenyl)-9-(2-methylpropyl)purine-2,8-diamine;8-N-(2-fluorophenyl)-9-(2-methylpropyl)-2-N-(2-morpholin-4-ylethyl)purine-2,8-diamine;8-N-(2-fluorophenyl)-9-(2-methylpropyl)-2-N-(oxan-4-yl)purine-2,8-diamine;8-N-(2-fluorophenyl)-2-N-(2-phenylethyl)-9-piperidin-4-ylpurine-2,8-diamine;8-N-(2-fluorophenyl)-9-phenyl-2-N-(2-phenylethyl)purine-2,8-diamine is CC(C)Cn1c(Nc2ccccc2F)nc2cnc(NC3CCCC3)nc21.CC(C)Cn1c(Nc2ccccc2F)nc2cnc(NC3CCOCC3)nc21.CC(C)Cn1c(Nc2ccccc2F)nc2cnc(NCCN3CCOCC3)nc21.Fc1ccccc1Nc1nc2cnc(NCCc3ccccc3)nc2n1-c1ccccc1.Fc1ccccc1Nc1nc2cnc(NCCc3ccccc3)nc2n1C1CCNCC1.
What is the InChIKey of 2-N-cyclopentyl-8-N-(2-fluorophenyl)-9-(2-methylpropyl)purine-2,8-diamine;8-N-(2-fluorophenyl)-9-(2-methylpropyl)-2-N-(2-morpholin-4-ylethyl)purine-2,8-diamine;8-N-(2-fluorophenyl)-9-(2-methylpropyl)-2-N-(oxan-4-yl)purine-2,8-diamine;8-N-(2-fluorophenyl)-2-N-(2-phenylethyl)-9-piperidin-4-ylpurine-2,8-diamine;8-N-(2-fluorophenyl)-9-phenyl-2-N-(2-phenylethyl)purine-2,8-diamine?
The InChIKey is LEQYNHNFAOCKHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21FN6.C24H26FN7.C21H28FN7O.C20H25FN6O.C20H25FN6/c26-20-13-7-8-14-21(20)29-25-30-22-17-28-24(27-16-15-18-9-3-1-4-10-18)31-23(22)32(25)19-11-5-2-6-12-19;25-19-8-4-5-9-20(19)29-24-30-21-16-28-23(27-15-10-17-6-2-1-3-7-17)31-22(21)32(24)18-11-13-26-14-12-18;1-15(2)14-29-19-18(26-21(29)25-17-6-4-3-5-16(17)22)13-24-20(27-19)23-7-8-28-9-11-30-12-10-28;1-13(2)12-27-18-17(25-20(27)24-16-6-4-3-5-15(16)21)11-22-19(26-18)23-14-7-9-28-10-8-14;1-13(2)12-27-18-17(11-22-19(26-18)23-14-7-3-4-8-14)25-20(27)24-16-10-6-5-9-15(16)21/h1-14,17H,15-16H2,(H,29,30)(H,27,28,31);1-9,16,18,26H,10-15H2,(H,29,30)(H,27,28,31);3-6,13,15H,7-12,14H2,1-2H3,(H,25,26)(H,23,24,27);3-6,11,13-14H,7-10,12H2,1-2H3,(H,24,25)(H,22,23,26);5-6,9-11,13-14H,3-4,7-8,12H2,1-2H3,(H,24,25)(H,22,23,26).
What are the key properties of 2-N-cyclopentyl-8-N-(2-fluorophenyl)-9-(2-methylpropyl)purine-2,8-diamine;8-N-(2-fluorophenyl)-9-(2-methylpropyl)-2-N-(2-morpholin-4-ylethyl)purine-2,8-diamine;8-N-(2-fluorophenyl)-9-(2-methylpropyl)-2-N-(oxan-4-yl)purine-2,8-diamine;8-N-(2-fluorophenyl)-2-N-(2-phenylethyl)-9-piperidin-4-ylpurine-2,8-diamine;8-N-(2-fluorophenyl)-9-phenyl-2-N-(2-phenylethyl)purine-2,8-diamine?
2-N-cyclopentyl-8-N-(2-fluorophenyl)-9-(2-methylpropyl)purine-2,8-diamine;8-N-(2-fluorophenyl)-9-(2-methylpropyl)-2-N-(2-morpholin-4-ylethyl)purine-2,8-diamine;8-N-(2-fluorophenyl)-9-(2-methylpropyl)-2-N-(oxan-4-yl)purine-2,8-diamine;8-N-(2-fluorophenyl)-2-N-(2-phenylethyl)-9-piperidin-4-ylpurine-2,8-diamine;8-N-(2-fluorophenyl)-9-phenyl-2-N-(2-phenylethyl)purine-2,8-diamine has a molecular weight of 2022.42 g/mol, XLogP of 21.43, 34 rotatable bonds, 11 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclopentyl-8-N-(2-fluorophenyl)-9-(2-methylpropyl)purine-2,8-diamine;8-N-(2-fluorophenyl)-9-(2-methylpropyl)-2-N-(2-morpholin-4-ylethyl)purine-2,8-diamine;8-N-(2-fluorophenyl)-9-(2-methylpropyl)-2-N-(oxan-4-yl)purine-2,8-diamine;8-N-(2-fluorophenyl)-2-N-(2-phenylethyl)-9-piperidin-4-ylpurine-2,8-diamine;8-N-(2-fluorophenyl)-9-phenyl-2-N-(2-phenylethyl)purine-2,8-diamine is sourced from PubChem (CID 159328404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).