2-N-[2-(3,4-dimethoxyphenyl)ethyl]-8-N-(3-methylphenyl)-6-morpholin-4-yl-7H-purine-2,8-diamine;2-N-[2-(3,4-dimethoxyphenyl)ethyl]-8-N-(4-methylphenyl)-6-morpholin-4-yl-7H-purine-2,8-diamine;2-[(3,4-dimethoxyphenyl)methoxy]-N-(4-methylphenyl)-6-morpholin-4-yl-7H-purin-8-amine;2-[[8-(3-methylanilino)-6-morpholin-4-yl-7H-purin-2-yl]amino]ethanol;9-methyl-8-N-(3-methylphenyl)-6-morpholin-4-ylpurine-2,8-diamine

C112H134N34O13 — CID 159991227

IUPAC2-N-[2-(3,4-dimethoxyphenyl)ethyl]-8-N-(3-methylphenyl)-6-morpholin-4-yl-7H-purine-2,8-diamine;2-N-[2-(3,4-dimethoxyphenyl)ethyl]-8-N-(4-methylphenyl)-6-morpholin-4-yl-7H-purine-2,8-diamine;2-[(3,4-dimethoxyphenyl)methoxy]-N-(4-methylphenyl)-6-morpholin-4-yl-7H-purin-8-amine;2-[[8-(3-methylanilino)-6-morpholin-4-yl-7H-purin-2-yl]amino]ethanol;9-methyl-8-N-(3-methylphenyl)-6-morpholin-4-ylpurine-2,8-diamine
SMILESCOc1ccc(CCNc2nc(N3CCOCC3)c3[nH]c(Nc4ccc(C)cc4)nc3n2)cc1OC.COc1ccc(CCNc2nc(N3CCOCC3)c3[nH]c(Nc4cccc(C)c4)nc3n2)cc1OC.COc1ccc(COc2nc(N3CCOCC3)c3[nH]c(Nc4ccc(C)cc4)nc3n2)cc1OC.Cc1cccc(Nc2nc3c(N4CCOCC4)nc(N)nc3n2C)c1.Cc1cccc(Nc2nc3nc(NCCO)nc(N4CCOCC4)c3[nH]2)c1
InChIInChI=1S/2C26H31N7O3.C25H28N6O4.C18H23N7O2.C17H21N7O/c1-17-4-7-19(8-5-17)28-26-29-22-23(31-26)30-25(32-24(22)33-12-14-36-15-13-33)27-11-10-18-6-9-20(34-2)21(16-18)35-3;1-17-5-4-6-19(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;1-16-4-7-18(8-5-16)26-24-27-21-22(28-24)29-25(30-23(21)31-10-12-34-13-11-31)35-15-17-6-9-19(32-2)20(14-17)33-3;1-12-3-2-4-13(11-12)20-18-21-14-15(23-18)22-17(19-5-8-26)24-16(14)25-6-9-27-10-7-25;1-11-4-3-5-12(10-11)19-17-20-13-14(23(17)2)21-16(18)22-15(13)24-6-8-25-9-7-24/h4-9,16H,10-15H2,1-3H3,(H3,27,28,29,30,31,32);4-8,15-16H,9-14H2,1-3H3,(H3,27,28,29,30,31,32);4-9,14H,10-13,15H2,1-3H3,(H2,26,27,28,29,30);2-4,11,26H,5-10H2,1H3,(H3,19,20,21,22,23,24);3-5,10H,6-9H2,1-2H3,(H,19,20)(H2,18,21,22)
InChIKeyOGYWYJWUKNZXBU-UHFFFAOYSA-N
MW2164.53 g/mol
LogP15.14
Rot. Bonds35

About 2-N-[2-(3,4-dimethoxyphenyl)ethyl]-8-N-(3-methylphenyl)-6-morpholin-4-yl-7H-purine-2,8-diamine;2-N-[2-(3,4-dimethoxyphenyl)ethyl]-8-N-(4-methylphenyl)-6-morpholin-4-yl-7H-purine-2,8-diamine;2-[(3,4-dimethoxyphenyl)methoxy]-N-(4-methylphenyl)-6-morpholin-4-yl-7H-purin-8-amine;2-[[8-(3-methylanilino)-6-morpholin-4-yl-7H-purin-2-yl]amino]ethanol;9-methyl-8-N-(3-methylphenyl)-6-morpholin-4-ylpurine-2,8-diamine

2-N-[2-(3,4-dimethoxyphenyl)ethyl]-8-N-(3-methylphenyl)-6-morpholin-4-yl-7H-purine-2,8-diamine;2-N-[2-(3,4-dimethoxyphenyl)ethyl]-8-N-(4-methylphenyl)-6-morpholin-4-yl-7H-purine-2,8-diamine;2-[(3,4-dimethoxyphenyl)methoxy]-N-(4-methylphenyl)-6-morpholin-4-yl-7H-purin-8-amine;2-[[8-(3-methylanilino)-6-morpholin-4-yl-7H-purin-2-yl]amino]ethanol;9-methyl-8-N-(3-methylphenyl)-6-morpholin-4-ylpurine-2,8-diamine (PubChem CID 159991227) has the molecular formula C112H134N34O13 and a molecular weight of 2164.53 g/mol. Its IUPAC name is 2-N-[2-(3,4-dimethoxyphenyl)ethyl]-8-N-(3-methylphenyl)-6-morpholin-4-yl-7H-purine-2,8-diamine;2-N-[2-(3,4-dimethoxyphenyl)ethyl]-8-N-(4-methylphenyl)-6-morpholin-4-yl-7H-purine-2,8-diamine;2-[(3,4-dimethoxyphenyl)methoxy]-N-(4-methylphenyl)-6-morpholin-4-yl-7H-purin-8-amine;2-[[8-(3-methylanilino)-6-morpholin-4-yl-7H-purin-2-yl]amino]ethanol;9-methyl-8-N-(3-methylphenyl)-6-morpholin-4-ylpurine-2,8-diamine.

Molecular Properties

Compound Name2-N-[2-(3,4-dimethoxyphenyl)ethyl]-8-N-(3-methylphenyl)-6-morpholin-4-yl-7H-purine-2,8-diamine;2-N-[2-(3,4-dimethoxyphenyl)ethyl]-8-N-(4-methylphenyl)-6-morpholin-4-yl-7H-purine-2,8-diamine;2-[(3,4-dimethoxyphenyl)methoxy]-N-(4-methylphenyl)-6-morpholin-4-yl-7H-purin-8-amine;2-[[8-(3-methylanilino)-6-morpholin-4-yl-7H-purin-2-yl]amino]ethanol;9-methyl-8-N-(3-methylphenyl)-6-morpholin-4-ylpurine-2,8-diamine
PubChem CID159991227
Molecular FormulaC112H134N34O13
Molecular Weight2164.53 g/mol
Exact Mass2163.09
IUPAC Name2-N-[2-(3,4-dimethoxyphenyl)ethyl]-8-N-(3-methylphenyl)-6-morpholin-4-yl-7H-purine-2,8-diamine;2-N-[2-(3,4-dimethoxyphenyl)ethyl]-8-N-(4-methylphenyl)-6-morpholin-4-yl-7H-purine-2,8-diamine;2-[(3,4-dimethoxyphenyl)methoxy]-N-(4-methylphenyl)-6-morpholin-4-yl-7H-purin-8-amine;2-[[8-(3-methylanilino)-6-morpholin-4-yl-7H-purin-2-yl]amino]ethanol;9-methyl-8-N-(3-methylphenyl)-6-morpholin-4-ylpurine-2,8-diamine
SMILESCOc1ccc(CCNc2nc(N3CCOCC3)c3[nH]c(Nc4ccc(C)cc4)nc3n2)cc1OC.COc1ccc(CCNc2nc(N3CCOCC3)c3[nH]c(Nc4cccc(C)c4)nc3n2)cc1OC.COc1ccc(COc2nc(N3CCOCC3)c3[nH]c(Nc4ccc(C)cc4)nc3n2)cc1OC.Cc1cccc(Nc2nc3c(N4CCOCC4)nc(N)nc3n2C)c1.Cc1cccc(Nc2nc3nc(NCCO)nc(N4CCOCC4)c3[nH]2)c1
InChIInChI=1S/2C26H31N7O3.C25H28N6O4.C18H23N7O2.C17H21N7O/c1-17-4-7-19(8-5-17)28-26-29-22-23(31-26)30-25(32-24(22)33-12-14-36-15-13-33)27-11-10-18-6-9-20(34-2)21(16-18)35-3;1-17-5-4-6-19(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;1-16-4-7-18(8-5-16)26-24-27-21-22(28-24)29-25(30-23(21)31-10-12-34-13-11-31)35-15-17-6-9-19(32-2)20(14-17)33-3;1-12-3-2-4-13(11-12)20-18-21-14-15(23-18)22-17(19-5-8-26)24-16(14)25-6-9-27-10-7-25;1-11-4-3-5-12(10-11)19-17-20-13-14(23(17)2)21-16(18)22-15(13)24-6-8-25-9-7-24/h4-9,16H,10-15H2,1-3H3,(H3,27,28,29,30,31,32);4-8,15-16H,9-14H2,1-3H3,(H3,27,28,29,30,31,32);4-9,14H,10-13,15H2,1-3H3,(H2,26,27,28,29,30);2-4,11,26H,5-10H2,1H3,(H3,19,20,21,22,23,24);3-5,10H,6-9H2,1-2H3,(H,19,20)(H2,18,21,22)
InChIKeyOGYWYJWUKNZXBU-UHFFFAOYSA-N
XLogP15.14
TPSA530.89 Ų
H-Bond Donors14
H-Bond Acceptors43
Rotatable Bonds35
Heavy Atoms159
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002164.53
LogP ≤ 515.14
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1043

Analyze 2-N-[2-(3,4-dimethoxyphenyl)ethyl]-8-N-(3-methylphenyl)-6-morpholin-4-yl-7H-purine-2,8-diamine;2-N-[2-(3,4-dimethoxyphenyl)ethyl]-8-N-(4-methylphenyl)-6-morpholin-4-yl-7H-purine-2,8-diamine;2-[(3,4-dimethoxyphenyl)methoxy]-N-(4-methylphenyl)-6-morpholin-4-yl-7H-purin-8-amine;2-[[8-(3-methylanilino)-6-morpholin-4-yl-7H-purin-2-yl]amino]ethanol;9-methyl-8-N-(3-methylphenyl)-6-morpholin-4-ylpurine-2,8-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(3,4-dimethoxyphenyl)ethyl]-8-N-(3-methylphenyl)-6-morpholin-4-yl-7H-purine-2,8-diamine;2-N-[2-(3,4-dimethoxyphenyl)ethyl]-8-N-(4-methylphenyl)-6-morpholin-4-yl-7H-purine-2,8-diamine;2-[(3,4-dimethoxyphenyl)methoxy]-N-(4-methylphenyl)-6-morpholin-4-yl-7H-purin-8-amine;2-[[8-(3-methylanilino)-6-morpholin-4-yl-7H-purin-2-yl]amino]ethanol;9-methyl-8-N-(3-methylphenyl)-6-morpholin-4-ylpurine-2,8-diamine?
The IUPAC name of 2-N-[2-(3,4-dimethoxyphenyl)ethyl]-8-N-(3-methylphenyl)-6-morpholin-4-yl-7H-purine-2,8-diamine;2-N-[2-(3,4-dimethoxyphenyl)ethyl]-8-N-(4-methylphenyl)-6-morpholin-4-yl-7H-purine-2,8-diamine;2-[(3,4-dimethoxyphenyl)methoxy]-N-(4-methylphenyl)-6-morpholin-4-yl-7H-purin-8-amine;2-[[8-(3-methylanilino)-6-morpholin-4-yl-7H-purin-2-yl]amino]ethanol;9-methyl-8-N-(3-methylphenyl)-6-morpholin-4-ylpurine-2,8-diamine (CID 159991227) is 2-N-[2-(3,4-dimethoxyphenyl)ethyl]-8-N-(3-methylphenyl)-6-morpholin-4-yl-7H-purine-2,8-diamine;2-N-[2-(3,4-dimethoxyphenyl)ethyl]-8-N-(4-methylphenyl)-6-morpholin-4-yl-7H-purine-2,8-diamine;2-[(3,4-dimethoxyphenyl)methoxy]-N-(4-methylphenyl)-6-morpholin-4-yl-7H-purin-8-amine;2-[[8-(3-methylanilino)-6-morpholin-4-yl-7H-purin-2-yl]amino]ethanol;9-methyl-8-N-(3-methylphenyl)-6-morpholin-4-ylpurine-2,8-diamine.
What is the SMILES notation for 2-N-[2-(3,4-dimethoxyphenyl)ethyl]-8-N-(3-methylphenyl)-6-morpholin-4-yl-7H-purine-2,8-diamine;2-N-[2-(3,4-dimethoxyphenyl)ethyl]-8-N-(4-methylphenyl)-6-morpholin-4-yl-7H-purine-2,8-diamine;2-[(3,4-dimethoxyphenyl)methoxy]-N-(4-methylphenyl)-6-morpholin-4-yl-7H-purin-8-amine;2-[[8-(3-methylanilino)-6-morpholin-4-yl-7H-purin-2-yl]amino]ethanol;9-methyl-8-N-(3-methylphenyl)-6-morpholin-4-ylpurine-2,8-diamine?
The canonical SMILES for 2-N-[2-(3,4-dimethoxyphenyl)ethyl]-8-N-(3-methylphenyl)-6-morpholin-4-yl-7H-purine-2,8-diamine;2-N-[2-(3,4-dimethoxyphenyl)ethyl]-8-N-(4-methylphenyl)-6-morpholin-4-yl-7H-purine-2,8-diamine;2-[(3,4-dimethoxyphenyl)methoxy]-N-(4-methylphenyl)-6-morpholin-4-yl-7H-purin-8-amine;2-[[8-(3-methylanilino)-6-morpholin-4-yl-7H-purin-2-yl]amino]ethanol;9-methyl-8-N-(3-methylphenyl)-6-morpholin-4-ylpurine-2,8-diamine is COc1ccc(CCNc2nc(N3CCOCC3)c3[nH]c(Nc4ccc(C)cc4)nc3n2)cc1OC.COc1ccc(CCNc2nc(N3CCOCC3)c3[nH]c(Nc4cccc(C)c4)nc3n2)cc1OC.COc1ccc(COc2nc(N3CCOCC3)c3[nH]c(Nc4ccc(C)cc4)nc3n2)cc1OC.Cc1cccc(Nc2nc3c(N4CCOCC4)nc(N)nc3n2C)c1.Cc1cccc(Nc2nc3nc(NCCO)nc(N4CCOCC4)c3[nH]2)c1.
What is the InChIKey of 2-N-[2-(3,4-dimethoxyphenyl)ethyl]-8-N-(3-methylphenyl)-6-morpholin-4-yl-7H-purine-2,8-diamine;2-N-[2-(3,4-dimethoxyphenyl)ethyl]-8-N-(4-methylphenyl)-6-morpholin-4-yl-7H-purine-2,8-diamine;2-[(3,4-dimethoxyphenyl)methoxy]-N-(4-methylphenyl)-6-morpholin-4-yl-7H-purin-8-amine;2-[[8-(3-methylanilino)-6-morpholin-4-yl-7H-purin-2-yl]amino]ethanol;9-methyl-8-N-(3-methylphenyl)-6-morpholin-4-ylpurine-2,8-diamine?
The InChIKey is OGYWYJWUKNZXBU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C26H31N7O3.C25H28N6O4.C18H23N7O2.C17H21N7O/c1-17-4-7-19(8-5-17)28-26-29-22-23(31-26)30-25(32-24(22)33-12-14-36-15-13-33)27-11-10-18-6-9-20(34-2)21(16-18)35-3;1-17-5-4-6-19(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;1-16-4-7-18(8-5-16)26-24-27-21-22(28-24)29-25(30-23(21)31-10-12-34-13-11-31)35-15-17-6-9-19(32-2)20(14-17)33-3;1-12-3-2-4-13(11-12)20-18-21-14-15(23-18)22-17(19-5-8-26)24-16(14)25-6-9-27-10-7-25;1-11-4-3-5-12(10-11)19-17-20-13-14(23(17)2)21-16(18)22-15(13)24-6-8-25-9-7-24/h4-9,16H,10-15H2,1-3H3,(H3,27,28,29,30,31,32);4-8,15-16H,9-14H2,1-3H3,(H3,27,28,29,30,31,32);4-9,14H,10-13,15H2,1-3H3,(H2,26,27,28,29,30);2-4,11,26H,5-10H2,1H3,(H3,19,20,21,22,23,24);3-5,10H,6-9H2,1-2H3,(H,19,20)(H2,18,21,22).
What are the key properties of 2-N-[2-(3,4-dimethoxyphenyl)ethyl]-8-N-(3-methylphenyl)-6-morpholin-4-yl-7H-purine-2,8-diamine;2-N-[2-(3,4-dimethoxyphenyl)ethyl]-8-N-(4-methylphenyl)-6-morpholin-4-yl-7H-purine-2,8-diamine;2-[(3,4-dimethoxyphenyl)methoxy]-N-(4-methylphenyl)-6-morpholin-4-yl-7H-purin-8-amine;2-[[8-(3-methylanilino)-6-morpholin-4-yl-7H-purin-2-yl]amino]ethanol;9-methyl-8-N-(3-methylphenyl)-6-morpholin-4-ylpurine-2,8-diamine?
2-N-[2-(3,4-dimethoxyphenyl)ethyl]-8-N-(3-methylphenyl)-6-morpholin-4-yl-7H-purine-2,8-diamine;2-N-[2-(3,4-dimethoxyphenyl)ethyl]-8-N-(4-methylphenyl)-6-morpholin-4-yl-7H-purine-2,8-diamine;2-[(3,4-dimethoxyphenyl)methoxy]-N-(4-methylphenyl)-6-morpholin-4-yl-7H-purin-8-amine;2-[[8-(3-methylanilino)-6-morpholin-4-yl-7H-purin-2-yl]amino]ethanol;9-methyl-8-N-(3-methylphenyl)-6-morpholin-4-ylpurine-2,8-diamine has a molecular weight of 2164.53 g/mol, XLogP of 15.14, 35 rotatable bonds, 14 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(3,4-dimethoxyphenyl)ethyl]-8-N-(3-methylphenyl)-6-morpholin-4-yl-7H-purine-2,8-diamine;2-N-[2-(3,4-dimethoxyphenyl)ethyl]-8-N-(4-methylphenyl)-6-morpholin-4-yl-7H-purine-2,8-diamine;2-[(3,4-dimethoxyphenyl)methoxy]-N-(4-methylphenyl)-6-morpholin-4-yl-7H-purin-8-amine;2-[[8-(3-methylanilino)-6-morpholin-4-yl-7H-purin-2-yl]amino]ethanol;9-methyl-8-N-(3-methylphenyl)-6-morpholin-4-ylpurine-2,8-diamine is sourced from PubChem (CID 159991227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).