8-bromo-N-[2-(3,4-dimethoxyphenyl)ethyl]-6-morpholin-4-yl-7H-purin-2-amine;4-(2-chloro-7H-purin-6-yl)morpholine;2,6-dichloro-7H-purine;2-(3,4-dimethoxyphenyl)ethanamine;2-N-[2-(3,4-dimethoxyphenyl)ethyl]-8-N-(3-methylphenyl)-6-morpholin-4-yl-7H-purine-2,8-diamine;N-[2-(3,4-dimethoxyphenyl)ethyl]-6-morpholin-4-yl-7H-purin-2-amine;3-methylaniline;molecular bromine;morpholine

C99H123Br3Cl3N31O13 — CID 161493925

About 8-bromo-N-[2-(3,4-dimethoxyphenyl)ethyl]-6-morpholin-4-yl-7H-purin-2-amine;4-(2-chloro-7H-purin-6-yl)morpholine;2,6-dichloro-7H-purine;2-(3,4-dimethoxyphenyl)ethanamine;2-N-[2-(3,4-dimethoxyphenyl)ethyl]-8-N-(3-methylphenyl)-6-morpholin-4-yl-7H-purine-2,8-diamine;N-[2-(3,4-dimethoxyphenyl)ethyl]-6-morpholin-4-yl-7H-purin-2-amine;3-methylaniline;molecular bromine;morpholine

8-bromo-N-[2-(3,4-dimethoxyphenyl)ethyl]-6-morpholin-4-yl-7H-purin-2-amine;4-(2-chloro-7H-purin-6-yl)morpholine;2,6-dichloro-7H-purine;2-(3,4-dimethoxyphenyl)ethanamine;2-N-[2-(3,4-dimethoxyphenyl)ethyl]-8-N-(3-methylphenyl)-6-morpholin-4-yl-7H-purine-2,8-diamine;N-[2-(3,4-dimethoxyphenyl)ethyl]-6-morpholin-4-yl-7H-purin-2-amine;3-methylaniline;molecular bromine;morpholine (PubChem CID 161493925) has the molecular formula C99H123Br3Cl3N31O13 and a molecular weight of 2301.35 g/mol. Its IUPAC name is 8-bromo-N-[2-(3,4-dimethoxyphenyl)ethyl]-6-morpholin-4-yl-7H-purin-2-amine;4-(2-chloro-7H-purin-6-yl)morpholine;2,6-dichloro-7H-purine;2-(3,4-dimethoxyphenyl)ethanamine;2-N-[2-(3,4-dimethoxyphenyl)ethyl]-8-N-(3-methylphenyl)-6-morpholin-4-yl-7H-purine-2,8-diamine;N-[2-(3,4-dimethoxyphenyl)ethyl]-6-morpholin-4-yl-7H-purin-2-amine;3-methylaniline;molecular bromine;morpholine.

Molecular Properties

• Compound Name: 8-bromo-N-[2-(3,4-dimethoxyphenyl)ethyl]-6-morpholin-4-yl-7H-purin-2-amine;4-(2-chloro-7H-purin-6-yl)morpholine;2,6-dichloro-7H-purine;2-(3,4-dimethoxyphenyl)ethanamine;2-N-[2-(3,4-dimethoxyphenyl)ethyl]-8-N-(3-methylphenyl)-6-morpholin-4-yl-7H-purine-2,8-diamine;N-[2-(3,4-dimethoxyphenyl)ethyl]-6-morpholin-4-yl-7H-purin-2-amine;3-methylaniline;molecular bromine;morpholine
• PubChem CID: 161493925
• Molecular Formula: C99H123Br3Cl3N31O13
• Molecular Weight: 2301.35 g/mol
• Exact Mass: 2295.65
• IUPAC Name: 8-bromo-N-[2-(3,4-dimethoxyphenyl)ethyl]-6-morpholin-4-yl-7H-purin-2-amine;4-(2-chloro-7H-purin-6-yl)morpholine;2,6-dichloro-7H-purine;2-(3,4-dimethoxyphenyl)ethanamine;2-N-[2-(3,4-dimethoxyphenyl)ethyl]-8-N-(3-methylphenyl)-6-morpholin-4-yl-7H-purine-2,8-diamine;N-[2-(3,4-dimethoxyphenyl)ethyl]-6-morpholin-4-yl-7H-purin-2-amine;3-methylaniline;molecular bromine;morpholine
• SMILES: BrBr.C1COCCN1.COc1ccc(CCN)cc1OC.COc1ccc(CCNc2nc(N3CCOCC3)c3[nH]c(Br)nc3n2)cc1OC.COc1ccc(CCNc2nc(N3CCOCC3)c3[nH]c(Nc4cccc(C)c4)nc3n2)cc1OC.COc1ccc(CCNc2nc(N3CCOCC3)c3[nH]cnc3n2)cc1OC.Cc1cccc(N)c1.Clc1nc(Cl)c2[nH]cnc2n1.Clc1nc(N2CCOCC2)c2[nH]cnc2n1
• InChI: InChI=1S/C26H31N7O3.C19H23BrN6O3.C19H24N6O3.C10H15NO2.C9H10ClN5O.C7H9N.C5H2Cl2N4.C4H9NO.Br2/c1-17-5-4-6-19(15-17)28-26-29-22-23(31-26)30-25(32-24(22)33-11-13-36-14-12-33)27-10-9-18-7-8-20(34-2)21(16-18)35-3;1-27-13-4-3-12(11-14(13)28-2)5-6-21-19-24-16-15(22-18(20)23-16)17(25-19)26-7-9-29-10-8-26;1-26-14-4-3-13(11-15(14)27-2)5-6-20-19-23-17-16(21-12-22-17)18(24-19)25-7-9-28-10-8-25;1-12-9-4-3-8(5-6-11)7-10(9)13-2;10-9-13-7-6(11-5-12-7)8(14-9)15-1-3-16-4-2-15;1-6-3-2-4-7(8)5-6;6-3-2-4(9-1-8-2)11-5(7)10-3;1-3-6-4-2-5-1;1-2/h4-8,15-16H,9-14H2,1-3H3,(H3,27,28,29,30,31,32);3-4,11H,5-10H2,1-2H3,(H2,21,22,23,24,25);3-4,11-12H,5-10H2,1-2H3,(H2,20,21,22,23,24);3-4,7H,5-6,11H2,1-2H3;5H,1-4H2,(H,11,12,13,14);2-5H,8H2,1H3;1H,(H,8,9,10,11);5H,1-4H2
• InChIKey: WFYMATVEXPAJRB-UHFFFAOYSA-N
• XLogP: 14.98
• TPSA: 517.44 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 39
• Rotatable Bonds: 28
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2301.35
LogP ≤ 5	14.98
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	39

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 8-bromo-N-[2-(3,4-dimethoxyphenyl)ethyl]-6-morpholin-4-yl-7H-purin-2-amine;4-(2-chloro-7H-purin-6-yl)morpholine;2,6-dichloro-7H-purine;2-(3,4-dimethoxyphenyl)ethanamine;2-N-[2-(3,4-dimethoxyphenyl)ethyl]-8-N-(3-methylphenyl)-6-morpholin-4-yl-7H-purine-2,8-diamine;N-[2-(3,4-dimethoxyphenyl)ethyl]-6-morpholin-4-yl-7H-purin-2-amine;3-methylaniline;molecular bromine;morpholine?

The IUPAC name of 8-bromo-N-[2-(3,4-dimethoxyphenyl)ethyl]-6-morpholin-4-yl-7H-purin-2-amine;4-(2-chloro-7H-purin-6-yl)morpholine;2,6-dichloro-7H-purine;2-(3,4-dimethoxyphenyl)ethanamine;2-N-[2-(3,4-dimethoxyphenyl)ethyl]-8-N-(3-methylphenyl)-6-morpholin-4-yl-7H-purine-2,8-diamine;N-[2-(3,4-dimethoxyphenyl)ethyl]-6-morpholin-4-yl-7H-purin-2-amine;3-methylaniline;molecular bromine;morpholine (CID 161493925) is 8-bromo-N-[2-(3,4-dimethoxyphenyl)ethyl]-6-morpholin-4-yl-7H-purin-2-amine;4-(2-chloro-7H-purin-6-yl)morpholine;2,6-dichloro-7H-purine;2-(3,4-dimethoxyphenyl)ethanamine;2-N-[2-(3,4-dimethoxyphenyl)ethyl]-8-N-(3-methylphenyl)-6-morpholin-4-yl-7H-purine-2,8-diamine;N-[2-(3,4-dimethoxyphenyl)ethyl]-6-morpholin-4-yl-7H-purin-2-amine;3-methylaniline;molecular bromine;morpholine.

What is the SMILES notation for 8-bromo-N-[2-(3,4-dimethoxyphenyl)ethyl]-6-morpholin-4-yl-7H-purin-2-amine;4-(2-chloro-7H-purin-6-yl)morpholine;2,6-dichloro-7H-purine;2-(3,4-dimethoxyphenyl)ethanamine;2-N-[2-(3,4-dimethoxyphenyl)ethyl]-8-N-(3-methylphenyl)-6-morpholin-4-yl-7H-purine-2,8-diamine;N-[2-(3,4-dimethoxyphenyl)ethyl]-6-morpholin-4-yl-7H-purin-2-amine;3-methylaniline;molecular bromine;morpholine?

The canonical SMILES for 8-bromo-N-[2-(3,4-dimethoxyphenyl)ethyl]-6-morpholin-4-yl-7H-purin-2-amine;4-(2-chloro-7H-purin-6-yl)morpholine;2,6-dichloro-7H-purine;2-(3,4-dimethoxyphenyl)ethanamine;2-N-[2-(3,4-dimethoxyphenyl)ethyl]-8-N-(3-methylphenyl)-6-morpholin-4-yl-7H-purine-2,8-diamine;N-[2-(3,4-dimethoxyphenyl)ethyl]-6-morpholin-4-yl-7H-purin-2-amine;3-methylaniline;molecular bromine;morpholine is BrBr.C1COCCN1.COc1ccc(CCN)cc1OC.COc1ccc(CCNc2nc(N3CCOCC3)c3[nH]c(Br)nc3n2)cc1OC.COc1ccc(CCNc2nc(N3CCOCC3)c3[nH]c(Nc4cccc(C)c4)nc3n2)cc1OC.COc1ccc(CCNc2nc(N3CCOCC3)c3[nH]cnc3n2)cc1OC.Cc1cccc(N)c1.Clc1nc(Cl)c2[nH]cnc2n1.Clc1nc(N2CCOCC2)c2[nH]cnc2n1.

What is the InChIKey of 8-bromo-N-[2-(3,4-dimethoxyphenyl)ethyl]-6-morpholin-4-yl-7H-purin-2-amine;4-(2-chloro-7H-purin-6-yl)morpholine;2,6-dichloro-7H-purine;2-(3,4-dimethoxyphenyl)ethanamine;2-N-[2-(3,4-dimethoxyphenyl)ethyl]-8-N-(3-methylphenyl)-6-morpholin-4-yl-7H-purine-2,8-diamine;N-[2-(3,4-dimethoxyphenyl)ethyl]-6-morpholin-4-yl-7H-purin-2-amine;3-methylaniline;molecular bromine;morpholine?

The InChIKey is WFYMATVEXPAJRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N7O3.C19H23BrN6O3.C19H24N6O3.C10H15NO2.C9H10ClN5O.C7H9N.C5H2Cl2N4.C4H9NO.Br2/c1-17-5-4-6-19(15-17)28-26-29-22-23(31-26)30-25(32-24(22)33-11-13-36-14-12-33)27-10-9-18-7-8-20(34-2)21(16-18)35-3;1-27-13-4-3-12(11-14(13)28-2)5-6-21-19-24-16-15(22-18(20)23-16)17(25-19)26-7-9-29-10-8-26;1-26-14-4-3-13(11-15(14)27-2)5-6-20-19-23-17-16(21-12-22-17)18(24-19)25-7-9-28-10-8-25;1-12-9-4-3-8(5-6-11)7-10(9)13-2;10-9-13-7-6(11-5-12-7)8(14-9)15-1-3-16-4-2-15;1-6-3-2-4-7(8)5-6;6-3-2-4(9-1-8-2)11-5(7)10-3;1-3-6-4-2-5-1;1-2/h4-8,15-16H,9-14H2,1-3H3,(H3,27,28,29,30,31,32);3-4,11H,5-10H2,1-2H3,(H2,21,22,23,24,25);3-4,11-12H,5-10H2,1-2H3,(H2,20,21,22,23,24);3-4,7H,5-6,11H2,1-2H3;5H,1-4H2,(H,11,12,13,14);2-5H,8H2,1H3;1H,(H,8,9,10,11);5H,1-4H2;.

What are the key properties of 8-bromo-N-[2-(3,4-dimethoxyphenyl)ethyl]-6-morpholin-4-yl-7H-purin-2-amine;4-(2-chloro-7H-purin-6-yl)morpholine;2,6-dichloro-7H-purine;2-(3,4-dimethoxyphenyl)ethanamine;2-N-[2-(3,4-dimethoxyphenyl)ethyl]-8-N-(3-methylphenyl)-6-morpholin-4-yl-7H-purine-2,8-diamine;N-[2-(3,4-dimethoxyphenyl)ethyl]-6-morpholin-4-yl-7H-purin-2-amine;3-methylaniline;molecular bromine;morpholine?

8-bromo-N-[2-(3,4-dimethoxyphenyl)ethyl]-6-morpholin-4-yl-7H-purin-2-amine;4-(2-chloro-7H-purin-6-yl)morpholine;2,6-dichloro-7H-purine;2-(3,4-dimethoxyphenyl)ethanamine;2-N-[2-(3,4-dimethoxyphenyl)ethyl]-8-N-(3-methylphenyl)-6-morpholin-4-yl-7H-purine-2,8-diamine;N-[2-(3,4-dimethoxyphenyl)ethyl]-6-morpholin-4-yl-7H-purin-2-amine;3-methylaniline;molecular bromine;morpholine has a molecular weight of 2301.35 g/mol, XLogP of 14.98, 28 rotatable bonds, 12 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for 8-bromo-N-[2-(3,4-dimethoxyphenyl)ethyl]-6-morpholin-4-yl-7H-purin-2-amine;4-(2-chloro-7H-purin-6-yl)morpholine;2,6-dichloro-7H-purine;2-(3,4-dimethoxyphenyl)ethanamine;2-N-[2-(3,4-dimethoxyphenyl)ethyl]-8-N-(3-methylphenyl)-6-morpholin-4-yl-7H-purine-2,8-diamine;N-[2-(3,4-dimethoxyphenyl)ethyl]-6-morpholin-4-yl-7H-purin-2-amine;3-methylaniline;molecular bromine;morpholine is sourced from PubChem (CID 161493925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).