4-[6-amino-2-(dimethylamino)purin-9-yl]butyl N-(1,3-benzodioxol-5-ylmethyl)carbamate;4-[6-amino-2-(dimethylamino)purin-9-yl]butyl N-[(3-bromophenyl)methyl]carbamate;4-[6-amino-2-(dimethylamino)purin-9-yl]butyl N-[(4-chlorophenyl)methyl]carbamate;4-[6-amino-2-(dimethylamino)purin-9-yl]butyl N-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]carbamate;4-[6-amino-2-(dimethylamino)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-[6-amino-2-(methylamino)purin-9-yl]butyl N-(1,3-benzodioxol-5-ylmethyl)carbamate;4-(6-amino-2-phenylpurin-9-yl)butyl N-(1,3-benzodioxol-5-ylmethyl)carbamate

C141H167BrCl2F6N48O20 — CID 160580428

About 4-[6-amino-2-(dimethylamino)purin-9-yl]butyl N-(1,3-benzodioxol-5-ylmethyl)carbamate;4-[6-amino-2-(dimethylamino)purin-9-yl]butyl N-[(3-bromophenyl)methyl]carbamate;4-[6-amino-2-(dimethylamino)purin-9-yl]butyl N-[(4-chlorophenyl)methyl]carbamate;4-[6-amino-2-(dimethylamino)purin-9-yl]butyl N-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]carbamate;4-[6-amino-2-(dimethylamino)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-[6-amino-2-(methylamino)purin-9-yl]butyl N-(1,3-benzodioxol-5-ylmethyl)carbamate;4-(6-amino-2-phenylpurin-9-yl)butyl N-(1,3-benzodioxol-5-ylmethyl)carbamate

4-[6-amino-2-(dimethylamino)purin-9-yl]butyl N-(1,3-benzodioxol-5-ylmethyl)carbamate;4-[6-amino-2-(dimethylamino)purin-9-yl]butyl N-[(3-bromophenyl)methyl]carbamate;4-[6-amino-2-(dimethylamino)purin-9-yl]butyl N-[(4-chlorophenyl)methyl]carbamate;4-[6-amino-2-(dimethylamino)purin-9-yl]butyl N-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]carbamate;4-[6-amino-2-(dimethylamino)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-[6-amino-2-(methylamino)purin-9-yl]butyl N-(1,3-benzodioxol-5-ylmethyl)carbamate;4-(6-amino-2-phenylpurin-9-yl)butyl N-(1,3-benzodioxol-5-ylmethyl)carbamate (PubChem CID 160580428) has the molecular formula C141H167BrCl2F6N48O20 and a molecular weight of 3119.00 g/mol. Its IUPAC name is 4-[6-amino-2-(dimethylamino)purin-9-yl]butyl N-(1,3-benzodioxol-5-ylmethyl)carbamate;4-[6-amino-2-(dimethylamino)purin-9-yl]butyl N-[(3-bromophenyl)methyl]carbamate;4-[6-amino-2-(dimethylamino)purin-9-yl]butyl N-[(4-chlorophenyl)methyl]carbamate;4-[6-amino-2-(dimethylamino)purin-9-yl]butyl N-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]carbamate;4-[6-amino-2-(dimethylamino)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-[6-amino-2-(methylamino)purin-9-yl]butyl N-(1,3-benzodioxol-5-ylmethyl)carbamate;4-(6-amino-2-phenylpurin-9-yl)butyl N-(1,3-benzodioxol-5-ylmethyl)carbamate.

Molecular Properties

• Compound Name: 4-[6-amino-2-(dimethylamino)purin-9-yl]butyl N-(1,3-benzodioxol-5-ylmethyl)carbamate;4-[6-amino-2-(dimethylamino)purin-9-yl]butyl N-[(3-bromophenyl)methyl]carbamate;4-[6-amino-2-(dimethylamino)purin-9-yl]butyl N-[(4-chlorophenyl)methyl]carbamate;4-[6-amino-2-(dimethylamino)purin-9-yl]butyl N-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]carbamate;4-[6-amino-2-(dimethylamino)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-[6-amino-2-(methylamino)purin-9-yl]butyl N-(1,3-benzodioxol-5-ylmethyl)carbamate;4-(6-amino-2-phenylpurin-9-yl)butyl N-(1,3-benzodioxol-5-ylmethyl)carbamate
• PubChem CID: 160580428
• Molecular Formula: C141H167BrCl2F6N48O20
• Molecular Weight: 3119.00 g/mol
• Exact Mass: 3115.20
• IUPAC Name: 4-[6-amino-2-(dimethylamino)purin-9-yl]butyl N-(1,3-benzodioxol-5-ylmethyl)carbamate;4-[6-amino-2-(dimethylamino)purin-9-yl]butyl N-[(3-bromophenyl)methyl]carbamate;4-[6-amino-2-(dimethylamino)purin-9-yl]butyl N-[(4-chlorophenyl)methyl]carbamate;4-[6-amino-2-(dimethylamino)purin-9-yl]butyl N-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]carbamate;4-[6-amino-2-(dimethylamino)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-[6-amino-2-(methylamino)purin-9-yl]butyl N-(1,3-benzodioxol-5-ylmethyl)carbamate;4-(6-amino-2-phenylpurin-9-yl)butyl N-(1,3-benzodioxol-5-ylmethyl)carbamate
• SMILES: CN(C)c1nc(N)c2ncn(CCCCOC(=O)NCc3ccc(Cl)c(C(F)(F)F)c3)c2n1.CN(C)c1nc(N)c2ncn(CCCCOC(=O)NCc3ccc(Cl)cc3)c2n1.CN(C)c1nc(N)c2ncn(CCCCOC(=O)NCc3ccc4c(c3)OCO4)c2n1.CN(C)c1nc(N)c2ncn(CCCCOC(=O)NCc3cccc(Br)c3)c2n1.CN(C)c1nc(N)c2ncn(CCCCOC(=O)NCc3cccc(C(F)(F)F)c3)c2n1.CNc1nc(N)c2ncn(CCCCOC(=O)NCc3ccc4c(c3)OCO4)c2n1.Nc1nc(-c2ccccc2)nc2c1ncn2CCCCOC(=O)NCc1ccc2c(c1)OCO2
• InChI: InChI=1S/C24H24N6O4.C20H23ClF3N7O2.C20H24F3N7O2.C20H25N7O4.C19H24BrN7O2.C19H24ClN7O2.C19H23N7O4/c25-21-20-23(29-22(28-21)17-6-2-1-3-7-17)30(14-27-20)10-4-5-11-32-24(31)26-13-16-8-9-18-19(12-16)34-15-33-18;1-30(2)18-28-16(25)15-17(29-18)31(11-27-15)7-3-4-8-33-19(32)26-10-12-5-6-14(21)13(9-12)20(22,23)24;1-29(2)18-27-16(24)15-17(28-18)30(12-26-15)8-3-4-9-32-19(31)25-11-13-6-5-7-14(10-13)20(21,22)23;1-26(2)19-24-17(21)16-18(25-19)27(11-23-16)7-3-4-8-29-20(28)22-10-13-5-6-14-15(9-13)31-12-30-14;1-26(2)18-24-16(21)15-17(25-18)27(12-23-15)8-3-4-9-29-19(28)22-11-13-6-5-7-14(20)10-13;1-26(2)18-24-16(21)15-17(25-18)27(12-23-15)9-3-4-10-29-19(28)22-11-13-5-7-14(20)8-6-13;1-21-18-24-16(20)15-17(25-18)26(10-23-15)6-2-3-7-28-19(27)22-9-12-4-5-13-14(8-12)30-11-29-13/h1-3,6-9,12,14H,4-5,10-11,13,15H2,(H,26,31)(H2,25,28,29);5-6,9,11H,3-4,7-8,10H2,1-2H3,(H,26,32)(H2,25,28,29);5-7,10,12H,3-4,8-9,11H2,1-2H3,(H,25,31)(H2,24,27,28);5-6,9,11H,3-4,7-8,10,12H2,1-2H3,(H,22,28)(H2,21,24,25);5-7,10,12H,3-4,8-9,11H2,1-2H3,(H,22,28)(H2,21,24,25);5-8,12H,3-4,9-11H2,1-2H3,(H,22,28)(H2,21,24,25);4-5,8,10H,2-3,6-7,9,11H2,1H3,(H,22,27)(H3,20,21,24,25)
• InChIKey: RBSAIHNRLRKDNN-UHFFFAOYSA-N
• XLogP: 20.14
• TPSA: 839.26 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 61
• Rotatable Bonds: 56
• Heavy Atoms: 218
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3119.00
LogP ≤ 5	20.14
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	61

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-(dimethylamino)purin-9-yl]butyl N-(1,3-benzodioxol-5-ylmethyl)carbamate;4-[6-amino-2-(dimethylamino)purin-9-yl]butyl N-[(3-bromophenyl)methyl]carbamate;4-[6-amino-2-(dimethylamino)purin-9-yl]butyl N-[(4-chlorophenyl)methyl]carbamate;4-[6-amino-2-(dimethylamino)purin-9-yl]butyl N-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]carbamate;4-[6-amino-2-(dimethylamino)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-[6-amino-2-(methylamino)purin-9-yl]butyl N-(1,3-benzodioxol-5-ylmethyl)carbamate;4-(6-amino-2-phenylpurin-9-yl)butyl N-(1,3-benzodioxol-5-ylmethyl)carbamate?

The IUPAC name of 4-[6-amino-2-(dimethylamino)purin-9-yl]butyl N-(1,3-benzodioxol-5-ylmethyl)carbamate;4-[6-amino-2-(dimethylamino)purin-9-yl]butyl N-[(3-bromophenyl)methyl]carbamate;4-[6-amino-2-(dimethylamino)purin-9-yl]butyl N-[(4-chlorophenyl)methyl]carbamate;4-[6-amino-2-(dimethylamino)purin-9-yl]butyl N-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]carbamate;4-[6-amino-2-(dimethylamino)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-[6-amino-2-(methylamino)purin-9-yl]butyl N-(1,3-benzodioxol-5-ylmethyl)carbamate;4-(6-amino-2-phenylpurin-9-yl)butyl N-(1,3-benzodioxol-5-ylmethyl)carbamate (CID 160580428) is 4-[6-amino-2-(dimethylamino)purin-9-yl]butyl N-(1,3-benzodioxol-5-ylmethyl)carbamate;4-[6-amino-2-(dimethylamino)purin-9-yl]butyl N-[(3-bromophenyl)methyl]carbamate;4-[6-amino-2-(dimethylamino)purin-9-yl]butyl N-[(4-chlorophenyl)methyl]carbamate;4-[6-amino-2-(dimethylamino)purin-9-yl]butyl N-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]carbamate;4-[6-amino-2-(dimethylamino)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-[6-amino-2-(methylamino)purin-9-yl]butyl N-(1,3-benzodioxol-5-ylmethyl)carbamate;4-(6-amino-2-phenylpurin-9-yl)butyl N-(1,3-benzodioxol-5-ylmethyl)carbamate.

What is the SMILES notation for 4-[6-amino-2-(dimethylamino)purin-9-yl]butyl N-(1,3-benzodioxol-5-ylmethyl)carbamate;4-[6-amino-2-(dimethylamino)purin-9-yl]butyl N-[(3-bromophenyl)methyl]carbamate;4-[6-amino-2-(dimethylamino)purin-9-yl]butyl N-[(4-chlorophenyl)methyl]carbamate;4-[6-amino-2-(dimethylamino)purin-9-yl]butyl N-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]carbamate;4-[6-amino-2-(dimethylamino)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-[6-amino-2-(methylamino)purin-9-yl]butyl N-(1,3-benzodioxol-5-ylmethyl)carbamate;4-(6-amino-2-phenylpurin-9-yl)butyl N-(1,3-benzodioxol-5-ylmethyl)carbamate?

The canonical SMILES for 4-[6-amino-2-(dimethylamino)purin-9-yl]butyl N-(1,3-benzodioxol-5-ylmethyl)carbamate;4-[6-amino-2-(dimethylamino)purin-9-yl]butyl N-[(3-bromophenyl)methyl]carbamate;4-[6-amino-2-(dimethylamino)purin-9-yl]butyl N-[(4-chlorophenyl)methyl]carbamate;4-[6-amino-2-(dimethylamino)purin-9-yl]butyl N-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]carbamate;4-[6-amino-2-(dimethylamino)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-[6-amino-2-(methylamino)purin-9-yl]butyl N-(1,3-benzodioxol-5-ylmethyl)carbamate;4-(6-amino-2-phenylpurin-9-yl)butyl N-(1,3-benzodioxol-5-ylmethyl)carbamate is CN(C)c1nc(N)c2ncn(CCCCOC(=O)NCc3ccc(Cl)c(C(F)(F)F)c3)c2n1.CN(C)c1nc(N)c2ncn(CCCCOC(=O)NCc3ccc(Cl)cc3)c2n1.CN(C)c1nc(N)c2ncn(CCCCOC(=O)NCc3ccc4c(c3)OCO4)c2n1.CN(C)c1nc(N)c2ncn(CCCCOC(=O)NCc3cccc(Br)c3)c2n1.CN(C)c1nc(N)c2ncn(CCCCOC(=O)NCc3cccc(C(F)(F)F)c3)c2n1.CNc1nc(N)c2ncn(CCCCOC(=O)NCc3ccc4c(c3)OCO4)c2n1.Nc1nc(-c2ccccc2)nc2c1ncn2CCCCOC(=O)NCc1ccc2c(c1)OCO2.

What is the InChIKey of 4-[6-amino-2-(dimethylamino)purin-9-yl]butyl N-(1,3-benzodioxol-5-ylmethyl)carbamate;4-[6-amino-2-(dimethylamino)purin-9-yl]butyl N-[(3-bromophenyl)methyl]carbamate;4-[6-amino-2-(dimethylamino)purin-9-yl]butyl N-[(4-chlorophenyl)methyl]carbamate;4-[6-amino-2-(dimethylamino)purin-9-yl]butyl N-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]carbamate;4-[6-amino-2-(dimethylamino)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-[6-amino-2-(methylamino)purin-9-yl]butyl N-(1,3-benzodioxol-5-ylmethyl)carbamate;4-(6-amino-2-phenylpurin-9-yl)butyl N-(1,3-benzodioxol-5-ylmethyl)carbamate?

The InChIKey is RBSAIHNRLRKDNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O4.C20H23ClF3N7O2.C20H24F3N7O2.C20H25N7O4.C19H24BrN7O2.C19H24ClN7O2.C19H23N7O4/c25-21-20-23(29-22(28-21)17-6-2-1-3-7-17)30(14-27-20)10-4-5-11-32-24(31)26-13-16-8-9-18-19(12-16)34-15-33-18;1-30(2)18-28-16(25)15-17(29-18)31(11-27-15)7-3-4-8-33-19(32)26-10-12-5-6-14(21)13(9-12)20(22,23)24;1-29(2)18-27-16(24)15-17(28-18)30(12-26-15)8-3-4-9-32-19(31)25-11-13-6-5-7-14(10-13)20(21,22)23;1-26(2)19-24-17(21)16-18(25-19)27(11-23-16)7-3-4-8-29-20(28)22-10-13-5-6-14-15(9-13)31-12-30-14;1-26(2)18-24-16(21)15-17(25-18)27(12-23-15)8-3-4-9-29-19(28)22-11-13-6-5-7-14(20)10-13;1-26(2)18-24-16(21)15-17(25-18)27(12-23-15)9-3-4-10-29-19(28)22-11-13-5-7-14(20)8-6-13;1-21-18-24-16(20)15-17(25-18)26(10-23-15)6-2-3-7-28-19(27)22-9-12-4-5-13-14(8-12)30-11-29-13/h1-3,6-9,12,14H,4-5,10-11,13,15H2,(H,26,31)(H2,25,28,29);5-6,9,11H,3-4,7-8,10H2,1-2H3,(H,26,32)(H2,25,28,29);5-7,10,12H,3-4,8-9,11H2,1-2H3,(H,25,31)(H2,24,27,28);5-6,9,11H,3-4,7-8,10,12H2,1-2H3,(H,22,28)(H2,21,24,25);5-7,10,12H,3-4,8-9,11H2,1-2H3,(H,22,28)(H2,21,24,25);5-8,12H,3-4,9-11H2,1-2H3,(H,22,28)(H2,21,24,25);4-5,8,10H,2-3,6-7,9,11H2,1H3,(H,22,27)(H3,20,21,24,25).

What are the key properties of 4-[6-amino-2-(dimethylamino)purin-9-yl]butyl N-(1,3-benzodioxol-5-ylmethyl)carbamate;4-[6-amino-2-(dimethylamino)purin-9-yl]butyl N-[(3-bromophenyl)methyl]carbamate;4-[6-amino-2-(dimethylamino)purin-9-yl]butyl N-[(4-chlorophenyl)methyl]carbamate;4-[6-amino-2-(dimethylamino)purin-9-yl]butyl N-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]carbamate;4-[6-amino-2-(dimethylamino)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-[6-amino-2-(methylamino)purin-9-yl]butyl N-(1,3-benzodioxol-5-ylmethyl)carbamate;4-(6-amino-2-phenylpurin-9-yl)butyl N-(1,3-benzodioxol-5-ylmethyl)carbamate?

4-[6-amino-2-(dimethylamino)purin-9-yl]butyl N-(1,3-benzodioxol-5-ylmethyl)carbamate;4-[6-amino-2-(dimethylamino)purin-9-yl]butyl N-[(3-bromophenyl)methyl]carbamate;4-[6-amino-2-(dimethylamino)purin-9-yl]butyl N-[(4-chlorophenyl)methyl]carbamate;4-[6-amino-2-(dimethylamino)purin-9-yl]butyl N-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]carbamate;4-[6-amino-2-(dimethylamino)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-[6-amino-2-(methylamino)purin-9-yl]butyl N-(1,3-benzodioxol-5-ylmethyl)carbamate;4-(6-amino-2-phenylpurin-9-yl)butyl N-(1,3-benzodioxol-5-ylmethyl)carbamate has a molecular weight of 3119.00 g/mol, XLogP of 20.14, 56 rotatable bonds, 15 hydrogen bond donors, and 61 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[6-amino-2-(dimethylamino)purin-9-yl]butyl N-(1,3-benzodioxol-5-ylmethyl)carbamate;4-[6-amino-2-(dimethylamino)purin-9-yl]butyl N-[(3-bromophenyl)methyl]carbamate;4-[6-amino-2-(dimethylamino)purin-9-yl]butyl N-[(4-chlorophenyl)methyl]carbamate;4-[6-amino-2-(dimethylamino)purin-9-yl]butyl N-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]carbamate;4-[6-amino-2-(dimethylamino)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-[6-amino-2-(methylamino)purin-9-yl]butyl N-(1,3-benzodioxol-5-ylmethyl)carbamate;4-(6-amino-2-phenylpurin-9-yl)butyl N-(1,3-benzodioxol-5-ylmethyl)carbamate is sourced from PubChem (CID 160580428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).