4-[6-amino-2-(2-methoxyphenyl)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-[6-amino-2-(3-methoxyphenyl)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-[6-amino-2-(4-methoxyphenyl)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-[6-amino-2-(4-methylphenyl)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-(6-amino-2-pyridin-3-ylpurin-9-yl)butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate

C123H122F15N31O13 — CID 161194793

About 4-[6-amino-2-(2-methoxyphenyl)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-[6-amino-2-(3-methoxyphenyl)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-[6-amino-2-(4-methoxyphenyl)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-[6-amino-2-(4-methylphenyl)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-(6-amino-2-pyridin-3-ylpurin-9-yl)butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate

4-[6-amino-2-(2-methoxyphenyl)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-[6-amino-2-(3-methoxyphenyl)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-[6-amino-2-(4-methoxyphenyl)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-[6-amino-2-(4-methylphenyl)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-(6-amino-2-pyridin-3-ylpurin-9-yl)butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate (PubChem CID 161194793) has the molecular formula C123H122F15N31O13 and a molecular weight of 2527.50 g/mol. Its IUPAC name is 4-[6-amino-2-(2-methoxyphenyl)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-[6-amino-2-(3-methoxyphenyl)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-[6-amino-2-(4-methoxyphenyl)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-[6-amino-2-(4-methylphenyl)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-(6-amino-2-pyridin-3-ylpurin-9-yl)butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate.

Molecular Properties

• Compound Name: 4-[6-amino-2-(2-methoxyphenyl)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-[6-amino-2-(3-methoxyphenyl)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-[6-amino-2-(4-methoxyphenyl)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-[6-amino-2-(4-methylphenyl)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-(6-amino-2-pyridin-3-ylpurin-9-yl)butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate
• PubChem CID: 161194793
• Molecular Formula: C123H122F15N31O13
• Molecular Weight: 2527.50 g/mol
• Exact Mass: 2525.96
• IUPAC Name: 4-[6-amino-2-(2-methoxyphenyl)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-[6-amino-2-(3-methoxyphenyl)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-[6-amino-2-(4-methoxyphenyl)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-[6-amino-2-(4-methylphenyl)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-(6-amino-2-pyridin-3-ylpurin-9-yl)butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate
• SMILES: COc1ccc(-c2nc(N)c3ncn(CCCCOC(=O)NCc4cccc(C(F)(F)F)c4)c3n2)cc1.COc1cccc(-c2nc(N)c3ncn(CCCCOC(=O)NCc4cccc(C(F)(F)F)c4)c3n2)c1.COc1ccccc1-c1nc(N)c2ncn(CCCCOC(=O)NCc3cccc(C(F)(F)F)c3)c2n1.Cc1ccc(-c2nc(N)c3ncn(CCCCOC(=O)NCc4cccc(C(F)(F)F)c4)c3n2)cc1.Nc1nc(-c2cccnc2)nc2c1ncn2CCCCOC(=O)NCc1cccc(C(F)(F)F)c1
• InChI: InChI=1S/3C25H25F3N6O3.C25H25F3N6O2.C23H22F3N7O2/c1-36-19-9-5-7-17(13-19)22-32-21(29)20-23(33-22)34(15-31-20)10-2-3-11-37-24(35)30-14-16-6-4-8-18(12-16)25(26,27)28;1-36-19-10-3-2-9-18(19)22-32-21(29)20-23(33-22)34(15-31-20)11-4-5-12-37-24(35)30-14-16-7-6-8-17(13-16)25(26,27)28;1-36-19-9-7-17(8-10-19)22-32-21(29)20-23(33-22)34(15-31-20)11-2-3-12-37-24(35)30-14-16-5-4-6-18(13-16)25(26,27)28;1-16-7-9-18(10-8-16)22-32-21(29)20-23(33-22)34(15-31-20)11-2-3-12-36-24(35)30-14-17-5-4-6-19(13-17)25(26,27)28;24-23(25,26)17-7-3-5-15(11-17)12-29-22(34)35-10-2-1-9-33-14-30-18-19(27)31-20(32-21(18)33)16-6-4-8-28-13-16/h4-9,12-13,15H,2-3,10-11,14H2,1H3,(H,30,35)(H2,29,32,33);2-3,6-10,13,15H,4-5,11-12,14H2,1H3,(H,30,35)(H2,29,32,33);4-10,13,15H,2-3,11-12,14H2,1H3,(H,30,35)(H2,29,32,33);4-10,13,15H,2-3,11-12,14H2,1H3,(H,30,35)(H2,29,32,33);3-8,11,13-14H,1-2,9-10,12H2,(H,29,34)(H2,27,31,32)
• InChIKey: UUEVUBPJNJLENZ-UHFFFAOYSA-N
• XLogP: 23.73
• TPSA: 580.33 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 39
• Rotatable Bonds: 43
• Heavy Atoms: 182
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2527.50
LogP ≤ 5	23.73
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	39

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[6-amino-2-(2-methoxyphenyl)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-[6-amino-2-(3-methoxyphenyl)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-[6-amino-2-(4-methoxyphenyl)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-[6-amino-2-(4-methylphenyl)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-(6-amino-2-pyridin-3-ylpurin-9-yl)butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate?

The IUPAC name of 4-[6-amino-2-(2-methoxyphenyl)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-[6-amino-2-(3-methoxyphenyl)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-[6-amino-2-(4-methoxyphenyl)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-[6-amino-2-(4-methylphenyl)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-(6-amino-2-pyridin-3-ylpurin-9-yl)butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate (CID 161194793) is 4-[6-amino-2-(2-methoxyphenyl)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-[6-amino-2-(3-methoxyphenyl)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-[6-amino-2-(4-methoxyphenyl)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-[6-amino-2-(4-methylphenyl)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-(6-amino-2-pyridin-3-ylpurin-9-yl)butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate.

What is the SMILES notation for 4-[6-amino-2-(2-methoxyphenyl)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-[6-amino-2-(3-methoxyphenyl)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-[6-amino-2-(4-methoxyphenyl)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-[6-amino-2-(4-methylphenyl)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-(6-amino-2-pyridin-3-ylpurin-9-yl)butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate?

The canonical SMILES for 4-[6-amino-2-(2-methoxyphenyl)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-[6-amino-2-(3-methoxyphenyl)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-[6-amino-2-(4-methoxyphenyl)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-[6-amino-2-(4-methylphenyl)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-(6-amino-2-pyridin-3-ylpurin-9-yl)butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate is COc1ccc(-c2nc(N)c3ncn(CCCCOC(=O)NCc4cccc(C(F)(F)F)c4)c3n2)cc1.COc1cccc(-c2nc(N)c3ncn(CCCCOC(=O)NCc4cccc(C(F)(F)F)c4)c3n2)c1.COc1ccccc1-c1nc(N)c2ncn(CCCCOC(=O)NCc3cccc(C(F)(F)F)c3)c2n1.Cc1ccc(-c2nc(N)c3ncn(CCCCOC(=O)NCc4cccc(C(F)(F)F)c4)c3n2)cc1.Nc1nc(-c2cccnc2)nc2c1ncn2CCCCOC(=O)NCc1cccc(C(F)(F)F)c1.

What is the InChIKey of 4-[6-amino-2-(2-methoxyphenyl)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-[6-amino-2-(3-methoxyphenyl)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-[6-amino-2-(4-methoxyphenyl)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-[6-amino-2-(4-methylphenyl)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-(6-amino-2-pyridin-3-ylpurin-9-yl)butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate?

The InChIKey is UUEVUBPJNJLENZ-UHFFFAOYSA-N. The full InChI is InChI=1S/3C25H25F3N6O3.C25H25F3N6O2.C23H22F3N7O2/c1-36-19-9-5-7-17(13-19)22-32-21(29)20-23(33-22)34(15-31-20)10-2-3-11-37-24(35)30-14-16-6-4-8-18(12-16)25(26,27)28;1-36-19-10-3-2-9-18(19)22-32-21(29)20-23(33-22)34(15-31-20)11-4-5-12-37-24(35)30-14-16-7-6-8-17(13-16)25(26,27)28;1-36-19-9-7-17(8-10-19)22-32-21(29)20-23(33-22)34(15-31-20)11-2-3-12-37-24(35)30-14-16-5-4-6-18(13-16)25(26,27)28;1-16-7-9-18(10-8-16)22-32-21(29)20-23(33-22)34(15-31-20)11-2-3-12-36-24(35)30-14-17-5-4-6-19(13-17)25(26,27)28;24-23(25,26)17-7-3-5-15(11-17)12-29-22(34)35-10-2-1-9-33-14-30-18-19(27)31-20(32-21(18)33)16-6-4-8-28-13-16/h4-9,12-13,15H,2-3,10-11,14H2,1H3,(H,30,35)(H2,29,32,33);2-3,6-10,13,15H,4-5,11-12,14H2,1H3,(H,30,35)(H2,29,32,33);4-10,13,15H,2-3,11-12,14H2,1H3,(H,30,35)(H2,29,32,33);4-10,13,15H,2-3,11-12,14H2,1H3,(H,30,35)(H2,29,32,33);3-8,11,13-14H,1-2,9-10,12H2,(H,29,34)(H2,27,31,32).

What are the key properties of 4-[6-amino-2-(2-methoxyphenyl)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-[6-amino-2-(3-methoxyphenyl)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-[6-amino-2-(4-methoxyphenyl)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-[6-amino-2-(4-methylphenyl)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-(6-amino-2-pyridin-3-ylpurin-9-yl)butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate?

4-[6-amino-2-(2-methoxyphenyl)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-[6-amino-2-(3-methoxyphenyl)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-[6-amino-2-(4-methoxyphenyl)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-[6-amino-2-(4-methylphenyl)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-(6-amino-2-pyridin-3-ylpurin-9-yl)butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate has a molecular weight of 2527.50 g/mol, XLogP of 23.73, 43 rotatable bonds, 10 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[6-amino-2-(2-methoxyphenyl)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-[6-amino-2-(3-methoxyphenyl)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-[6-amino-2-(4-methoxyphenyl)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-[6-amino-2-(4-methylphenyl)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-(6-amino-2-pyridin-3-ylpurin-9-yl)butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate is sourced from PubChem (CID 161194793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).