4-(6-amino-2-chloropurin-9-yl)butyl N-[[3-chloro-2-fluoro-6-(trifluoromethyl)phenyl]methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[[2-chloro-5-(2-methylpropyl)phenyl]methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(3-cyanophenyl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(3-cyclopropylphenyl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(3-methylphenyl)methyl]carbamate;4-[6-amino-2-(dimethylamino)purin-9-yl]butyl N-[[2,3-dichloro-6-(trifluoromethyl)phenyl]methyl]carbamate;4-(6-amino-2-fluoropurin-9-yl)butyl N-[[2,3-dichloro-6-(trifluoromethyl)phenyl]methyl]carbamate

C133H142Cl11F11N44O14 — CID 157461695

About 4-(6-amino-2-chloropurin-9-yl)butyl N-[[3-chloro-2-fluoro-6-(trifluoromethyl)phenyl]methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[[2-chloro-5-(2-methylpropyl)phenyl]methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(3-cyanophenyl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(3-cyclopropylphenyl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(3-methylphenyl)methyl]carbamate;4-[6-amino-2-(dimethylamino)purin-9-yl]butyl N-[[2,3-dichloro-6-(trifluoromethyl)phenyl]methyl]carbamate;4-(6-amino-2-fluoropurin-9-yl)butyl N-[[2,3-dichloro-6-(trifluoromethyl)phenyl]methyl]carbamate

4-(6-amino-2-chloropurin-9-yl)butyl N-[[3-chloro-2-fluoro-6-(trifluoromethyl)phenyl]methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[[2-chloro-5-(2-methylpropyl)phenyl]methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(3-cyanophenyl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(3-cyclopropylphenyl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(3-methylphenyl)methyl]carbamate;4-[6-amino-2-(dimethylamino)purin-9-yl]butyl N-[[2,3-dichloro-6-(trifluoromethyl)phenyl]methyl]carbamate;4-(6-amino-2-fluoropurin-9-yl)butyl N-[[2,3-dichloro-6-(trifluoromethyl)phenyl]methyl]carbamate (PubChem CID 157461695) has the molecular formula C133H142Cl11F11N44O14 and a molecular weight of 3179.85 g/mol. Its IUPAC name is 4-(6-amino-2-chloropurin-9-yl)butyl N-[[3-chloro-2-fluoro-6-(trifluoromethyl)phenyl]methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[[2-chloro-5-(2-methylpropyl)phenyl]methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(3-cyanophenyl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(3-cyclopropylphenyl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(3-methylphenyl)methyl]carbamate;4-[6-amino-2-(dimethylamino)purin-9-yl]butyl N-[[2,3-dichloro-6-(trifluoromethyl)phenyl]methyl]carbamate;4-(6-amino-2-fluoropurin-9-yl)butyl N-[[2,3-dichloro-6-(trifluoromethyl)phenyl]methyl]carbamate.

Molecular Properties

• Compound Name: 4-(6-amino-2-chloropurin-9-yl)butyl N-[[3-chloro-2-fluoro-6-(trifluoromethyl)phenyl]methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[[2-chloro-5-(2-methylpropyl)phenyl]methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(3-cyanophenyl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(3-cyclopropylphenyl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(3-methylphenyl)methyl]carbamate;4-[6-amino-2-(dimethylamino)purin-9-yl]butyl N-[[2,3-dichloro-6-(trifluoromethyl)phenyl]methyl]carbamate;4-(6-amino-2-fluoropurin-9-yl)butyl N-[[2,3-dichloro-6-(trifluoromethyl)phenyl]methyl]carbamate
• PubChem CID: 157461695
• Molecular Formula: C133H142Cl11F11N44O14
• Molecular Weight: 3179.85 g/mol
• Exact Mass: 3172.82
• IUPAC Name: 4-(6-amino-2-chloropurin-9-yl)butyl N-[[3-chloro-2-fluoro-6-(trifluoromethyl)phenyl]methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[[2-chloro-5-(2-methylpropyl)phenyl]methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(3-cyanophenyl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(3-cyclopropylphenyl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(3-methylphenyl)methyl]carbamate;4-[6-amino-2-(dimethylamino)purin-9-yl]butyl N-[[2,3-dichloro-6-(trifluoromethyl)phenyl]methyl]carbamate;4-(6-amino-2-fluoropurin-9-yl)butyl N-[[2,3-dichloro-6-(trifluoromethyl)phenyl]methyl]carbamate
• SMILES: CC(C)Cc1ccc(Cl)c(CNC(=O)OCCCCn2cnc3c(N)nc(Cl)nc32)c1.CN(C)c1nc(N)c2ncn(CCCCOC(=O)NCc3c(C(F)(F)F)ccc(Cl)c3Cl)c2n1.Cc1cccc(CNC(=O)OCCCCn2cnc3c(N)nc(Cl)nc32)c1.N#Cc1cccc(CNC(=O)OCCCCn2cnc3c(N)nc(Cl)nc32)c1.Nc1nc(Cl)nc2c1ncn2CCCCOC(=O)NCc1c(C(F)(F)F)ccc(Cl)c1F.Nc1nc(Cl)nc2c1ncn2CCCCOC(=O)NCc1cccc(C2CC2)c1.Nc1nc(F)nc2c1ncn2CCCCOC(=O)NCc1c(C(F)(F)F)ccc(Cl)c1Cl
• InChI: InChI=1S/C21H26Cl2N6O2.C20H22Cl2F3N7O2.C20H23ClN6O2.2C18H16Cl2F4N6O2.C18H18ClN7O2.C18H21ClN6O2/c1-13(2)9-14-5-6-16(22)15(10-14)11-25-21(30)31-8-4-3-7-29-12-26-17-18(24)27-20(23)28-19(17)29;1-31(2)18-29-16(26)15-17(30-18)32(10-28-15)7-3-4-8-34-19(33)27-9-11-12(20(23,24)25)5-6-13(21)14(11)22;21-19-25-17(22)16-18(26-19)27(12-24-16)8-1-2-9-29-20(28)23-11-13-4-3-5-15(10-13)14-6-7-14;19-11-4-3-10(18(22,23)24)9(12(11)21)7-26-17(31)32-6-2-1-5-30-8-27-13-14(25)28-16(20)29-15(13)30;19-11-4-3-10(18(22,23)24)9(12(11)20)7-26-17(31)32-6-2-1-5-30-8-27-13-14(25)28-16(21)29-15(13)30;19-17-24-15(21)14-16(25-17)26(11-23-14)6-1-2-7-28-18(27)22-10-13-5-3-4-12(8-13)9-20;1-12-5-4-6-13(9-12)10-21-18(26)27-8-3-2-7-25-11-22-14-15(20)23-17(19)24-16(14)25/h5-6,10,12-13H,3-4,7-9,11H2,1-2H3,(H,25,30)(H2,24,27,28);5-6,10H,3-4,7-9H2,1-2H3,(H,27,33)(H2,26,29,30);3-5,10,12,14H,1-2,6-9,11H2,(H,23,28)(H2,22,25,26);2*3-4,8H,1-2,5-7H2,(H,26,31)(H2,25,28,29);3-5,8,11H,1-2,6-7,10H2,(H,22,27)(H2,21,24,25);4-6,9,11H,2-3,7-8,10H2,1H3,(H,21,26)(H2,20,23,24)
• InChIKey: BTZRRBKPMHSRLS-UHFFFAOYSA-N
• XLogP: 27.65
• TPSA: 782.68 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 51
• Rotatable Bonds: 53
• Heavy Atoms: 213
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3179.85
LogP ≤ 5	27.65
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	51

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-chloropurin-9-yl)butyl N-[[3-chloro-2-fluoro-6-(trifluoromethyl)phenyl]methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[[2-chloro-5-(2-methylpropyl)phenyl]methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(3-cyanophenyl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(3-cyclopropylphenyl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(3-methylphenyl)methyl]carbamate;4-[6-amino-2-(dimethylamino)purin-9-yl]butyl N-[[2,3-dichloro-6-(trifluoromethyl)phenyl]methyl]carbamate;4-(6-amino-2-fluoropurin-9-yl)butyl N-[[2,3-dichloro-6-(trifluoromethyl)phenyl]methyl]carbamate?

The IUPAC name of 4-(6-amino-2-chloropurin-9-yl)butyl N-[[3-chloro-2-fluoro-6-(trifluoromethyl)phenyl]methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[[2-chloro-5-(2-methylpropyl)phenyl]methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(3-cyanophenyl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(3-cyclopropylphenyl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(3-methylphenyl)methyl]carbamate;4-[6-amino-2-(dimethylamino)purin-9-yl]butyl N-[[2,3-dichloro-6-(trifluoromethyl)phenyl]methyl]carbamate;4-(6-amino-2-fluoropurin-9-yl)butyl N-[[2,3-dichloro-6-(trifluoromethyl)phenyl]methyl]carbamate (CID 157461695) is 4-(6-amino-2-chloropurin-9-yl)butyl N-[[3-chloro-2-fluoro-6-(trifluoromethyl)phenyl]methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[[2-chloro-5-(2-methylpropyl)phenyl]methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(3-cyanophenyl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(3-cyclopropylphenyl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(3-methylphenyl)methyl]carbamate;4-[6-amino-2-(dimethylamino)purin-9-yl]butyl N-[[2,3-dichloro-6-(trifluoromethyl)phenyl]methyl]carbamate;4-(6-amino-2-fluoropurin-9-yl)butyl N-[[2,3-dichloro-6-(trifluoromethyl)phenyl]methyl]carbamate.

What is the SMILES notation for 4-(6-amino-2-chloropurin-9-yl)butyl N-[[3-chloro-2-fluoro-6-(trifluoromethyl)phenyl]methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[[2-chloro-5-(2-methylpropyl)phenyl]methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(3-cyanophenyl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(3-cyclopropylphenyl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(3-methylphenyl)methyl]carbamate;4-[6-amino-2-(dimethylamino)purin-9-yl]butyl N-[[2,3-dichloro-6-(trifluoromethyl)phenyl]methyl]carbamate;4-(6-amino-2-fluoropurin-9-yl)butyl N-[[2,3-dichloro-6-(trifluoromethyl)phenyl]methyl]carbamate?

The canonical SMILES for 4-(6-amino-2-chloropurin-9-yl)butyl N-[[3-chloro-2-fluoro-6-(trifluoromethyl)phenyl]methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[[2-chloro-5-(2-methylpropyl)phenyl]methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(3-cyanophenyl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(3-cyclopropylphenyl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(3-methylphenyl)methyl]carbamate;4-[6-amino-2-(dimethylamino)purin-9-yl]butyl N-[[2,3-dichloro-6-(trifluoromethyl)phenyl]methyl]carbamate;4-(6-amino-2-fluoropurin-9-yl)butyl N-[[2,3-dichloro-6-(trifluoromethyl)phenyl]methyl]carbamate is CC(C)Cc1ccc(Cl)c(CNC(=O)OCCCCn2cnc3c(N)nc(Cl)nc32)c1.CN(C)c1nc(N)c2ncn(CCCCOC(=O)NCc3c(C(F)(F)F)ccc(Cl)c3Cl)c2n1.Cc1cccc(CNC(=O)OCCCCn2cnc3c(N)nc(Cl)nc32)c1.N#Cc1cccc(CNC(=O)OCCCCn2cnc3c(N)nc(Cl)nc32)c1.Nc1nc(Cl)nc2c1ncn2CCCCOC(=O)NCc1c(C(F)(F)F)ccc(Cl)c1F.Nc1nc(Cl)nc2c1ncn2CCCCOC(=O)NCc1cccc(C2CC2)c1.Nc1nc(F)nc2c1ncn2CCCCOC(=O)NCc1c(C(F)(F)F)ccc(Cl)c1Cl.

What is the InChIKey of 4-(6-amino-2-chloropurin-9-yl)butyl N-[[3-chloro-2-fluoro-6-(trifluoromethyl)phenyl]methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[[2-chloro-5-(2-methylpropyl)phenyl]methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(3-cyanophenyl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(3-cyclopropylphenyl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(3-methylphenyl)methyl]carbamate;4-[6-amino-2-(dimethylamino)purin-9-yl]butyl N-[[2,3-dichloro-6-(trifluoromethyl)phenyl]methyl]carbamate;4-(6-amino-2-fluoropurin-9-yl)butyl N-[[2,3-dichloro-6-(trifluoromethyl)phenyl]methyl]carbamate?

The InChIKey is BTZRRBKPMHSRLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26Cl2N6O2.C20H22Cl2F3N7O2.C20H23ClN6O2.2C18H16Cl2F4N6O2.C18H18ClN7O2.C18H21ClN6O2/c1-13(2)9-14-5-6-16(22)15(10-14)11-25-21(30)31-8-4-3-7-29-12-26-17-18(24)27-20(23)28-19(17)29;1-31(2)18-29-16(26)15-17(30-18)32(10-28-15)7-3-4-8-34-19(33)27-9-11-12(20(23,24)25)5-6-13(21)14(11)22;21-19-25-17(22)16-18(26-19)27(12-24-16)8-1-2-9-29-20(28)23-11-13-4-3-5-15(10-13)14-6-7-14;19-11-4-3-10(18(22,23)24)9(12(11)21)7-26-17(31)32-6-2-1-5-30-8-27-13-14(25)28-16(20)29-15(13)30;19-11-4-3-10(18(22,23)24)9(12(11)20)7-26-17(31)32-6-2-1-5-30-8-27-13-14(25)28-16(21)29-15(13)30;19-17-24-15(21)14-16(25-17)26(11-23-14)6-1-2-7-28-18(27)22-10-13-5-3-4-12(8-13)9-20;1-12-5-4-6-13(9-12)10-21-18(26)27-8-3-2-7-25-11-22-14-15(20)23-17(19)24-16(14)25/h5-6,10,12-13H,3-4,7-9,11H2,1-2H3,(H,25,30)(H2,24,27,28);5-6,10H,3-4,7-9H2,1-2H3,(H,27,33)(H2,26,29,30);3-5,10,12,14H,1-2,6-9,11H2,(H,23,28)(H2,22,25,26);2*3-4,8H,1-2,5-7H2,(H,26,31)(H2,25,28,29);3-5,8,11H,1-2,6-7,10H2,(H,22,27)(H2,21,24,25);4-6,9,11H,2-3,7-8,10H2,1H3,(H,21,26)(H2,20,23,24).

What are the key properties of 4-(6-amino-2-chloropurin-9-yl)butyl N-[[3-chloro-2-fluoro-6-(trifluoromethyl)phenyl]methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[[2-chloro-5-(2-methylpropyl)phenyl]methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(3-cyanophenyl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(3-cyclopropylphenyl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(3-methylphenyl)methyl]carbamate;4-[6-amino-2-(dimethylamino)purin-9-yl]butyl N-[[2,3-dichloro-6-(trifluoromethyl)phenyl]methyl]carbamate;4-(6-amino-2-fluoropurin-9-yl)butyl N-[[2,3-dichloro-6-(trifluoromethyl)phenyl]methyl]carbamate?

4-(6-amino-2-chloropurin-9-yl)butyl N-[[3-chloro-2-fluoro-6-(trifluoromethyl)phenyl]methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[[2-chloro-5-(2-methylpropyl)phenyl]methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(3-cyanophenyl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(3-cyclopropylphenyl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(3-methylphenyl)methyl]carbamate;4-[6-amino-2-(dimethylamino)purin-9-yl]butyl N-[[2,3-dichloro-6-(trifluoromethyl)phenyl]methyl]carbamate;4-(6-amino-2-fluoropurin-9-yl)butyl N-[[2,3-dichloro-6-(trifluoromethyl)phenyl]methyl]carbamate has a molecular weight of 3179.85 g/mol, XLogP of 27.65, 53 rotatable bonds, 14 hydrogen bond donors, and 51 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(6-amino-2-chloropurin-9-yl)butyl N-[[3-chloro-2-fluoro-6-(trifluoromethyl)phenyl]methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[[2-chloro-5-(2-methylpropyl)phenyl]methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(3-cyanophenyl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(3-cyclopropylphenyl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(3-methylphenyl)methyl]carbamate;4-[6-amino-2-(dimethylamino)purin-9-yl]butyl N-[[2,3-dichloro-6-(trifluoromethyl)phenyl]methyl]carbamate;4-(6-amino-2-fluoropurin-9-yl)butyl N-[[2,3-dichloro-6-(trifluoromethyl)phenyl]methyl]carbamate is sourced from PubChem (CID 157461695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).