2-N-(4-methoxyphenyl)-2-N-methyl-8-N-(3-methylphenyl)-6-morpholin-4-yl-7H-purine-2,8-diamine;9-methyl-2-N,8-N-bis(3-methylphenyl)-6-morpholin-4-ylpurine-2,8-diamine

C48H54N14O3 — CID 159608422

IUPAC2-N-(4-methoxyphenyl)-2-N-methyl-8-N-(3-methylphenyl)-6-morpholin-4-yl-7H-purine-2,8-diamine;9-methyl-2-N,8-N-bis(3-methylphenyl)-6-morpholin-4-ylpurine-2,8-diamine
SMILESCOc1ccc(N(C)c2nc(N3CCOCC3)c3[nH]c(Nc4cccc(C)c4)nc3n2)cc1.Cc1cccc(Nc2nc(N3CCOCC3)c3nc(Nc4cccc(C)c4)n(C)c3n2)c1
InChIInChI=1S/C24H27N7O2.C24H27N7O/c1-16-5-4-6-17(15-16)25-23-26-20-21(27-23)28-24(29-22(20)31-11-13-33-14-12-31)30(2)18-7-9-19(32-3)10-8-18;1-16-6-4-8-18(14-16)25-23-28-21-20(22(29-23)31-10-12-32-13-11-31)27-24(30(21)3)26-19-9-5-7-17(2)15-19/h4-10,15H,11-14H2,1-3H3,(H2,25,26,27,28,29);4-9,14-15H,10-13H2,1-3H3,(H,26,27)(H,25,28,29)
InChIKeyMMJGSPMJFIKIQP-UHFFFAOYSA-N
MW875.06 g/mol
LogP8.32
Rot. Bonds11

About 2-N-(4-methoxyphenyl)-2-N-methyl-8-N-(3-methylphenyl)-6-morpholin-4-yl-7H-purine-2,8-diamine;9-methyl-2-N,8-N-bis(3-methylphenyl)-6-morpholin-4-ylpurine-2,8-diamine

2-N-(4-methoxyphenyl)-2-N-methyl-8-N-(3-methylphenyl)-6-morpholin-4-yl-7H-purine-2,8-diamine;9-methyl-2-N,8-N-bis(3-methylphenyl)-6-morpholin-4-ylpurine-2,8-diamine (PubChem CID 159608422) has the molecular formula C48H54N14O3 and a molecular weight of 875.06 g/mol. Its IUPAC name is 2-N-(4-methoxyphenyl)-2-N-methyl-8-N-(3-methylphenyl)-6-morpholin-4-yl-7H-purine-2,8-diamine;9-methyl-2-N,8-N-bis(3-methylphenyl)-6-morpholin-4-ylpurine-2,8-diamine.

Molecular Properties

Compound Name2-N-(4-methoxyphenyl)-2-N-methyl-8-N-(3-methylphenyl)-6-morpholin-4-yl-7H-purine-2,8-diamine;9-methyl-2-N,8-N-bis(3-methylphenyl)-6-morpholin-4-ylpurine-2,8-diamine
PubChem CID159608422
Molecular FormulaC48H54N14O3
Molecular Weight875.06 g/mol
Exact Mass874.45
IUPAC Name2-N-(4-methoxyphenyl)-2-N-methyl-8-N-(3-methylphenyl)-6-morpholin-4-yl-7H-purine-2,8-diamine;9-methyl-2-N,8-N-bis(3-methylphenyl)-6-morpholin-4-ylpurine-2,8-diamine
SMILESCOc1ccc(N(C)c2nc(N3CCOCC3)c3[nH]c(Nc4cccc(C)c4)nc3n2)cc1.Cc1cccc(Nc2nc(N3CCOCC3)c3nc(Nc4cccc(C)c4)n(C)c3n2)c1
InChIInChI=1S/C24H27N7O2.C24H27N7O/c1-16-5-4-6-17(15-16)25-23-26-20-21(27-23)28-24(29-22(20)31-11-13-33-14-12-31)30(2)18-7-9-19(32-3)10-8-18;1-16-6-4-8-18(14-16)25-23-28-21-20(22(29-23)31-10-12-32-13-11-31)27-24(30(21)3)26-19-9-5-7-17(2)15-19/h4-10,15H,11-14H2,1-3H3,(H2,25,26,27,28,29);4-9,14-15H,10-13H2,1-3H3,(H,26,27)(H,25,28,29)
InChIKeyMMJGSPMJFIKIQP-UHFFFAOYSA-N
XLogP8.32
TPSA171.56 Ų
H-Bond Donors4
H-Bond Acceptors16
Rotatable Bonds11
Heavy Atoms65
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500875.06
LogP ≤ 58.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1016

Analyze 2-N-(4-methoxyphenyl)-2-N-methyl-8-N-(3-methylphenyl)-6-morpholin-4-yl-7H-purine-2,8-diamine;9-methyl-2-N,8-N-bis(3-methylphenyl)-6-morpholin-4-ylpurine-2,8-diamine with MolForge

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Related Compounds

3-(2-(2-methoxybenzyl)-1H-benzo[d]imidazol-6-yl)-1-((trans)-4-morpholinocyclohexyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 25218687
N-(4-ethoxyphenyl)-6-morpholino-9H-purin-2-amine
CID 49678035
N-(4-Methoxyphenyl)-2-morpholino-9H-purin-6-amine
CID 49799182
9-cyclopentyl-2-N-[(4-methoxyphenyl)methyl]-6-N-[4-(morpholin-4-ylmethyl)phenyl]purine-2,6-diamine
CID 145977590
8-(4-methoxyphenyl)-N-(5-piperazin-1-yl-2-pyridinyl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine
CID 58300153
5-((4-methoxyphenylamino)methyl)-N-(6-methoxypyridin-3-yl)-3-(2-methyl-9H-purin-6-yl)pyridin-2-amine
CID 59548297
5-N-(4-methoxyphenyl)-2-N-(6-methoxy-3-pyridinyl)-3-(2-methyl-7H-purin-6-yl)pyridine-2,5-diamine
CID 59548363
N-(6-methoxy-3-pyridinyl)-3-(2-methyl-7H-purin-6-yl)-5-morpholin-4-ylpyridin-2-amine
CID 59548370
4-[5-[4-[4-[5-(3-fluoro-4-methoxy-phenyl)-4-methyl-1H-imidazol-2-yl]-4-methyl-1-piperidyl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-pyridyl]morpholine
CID 118413822
4-[5-[4-[4-[5-[4-(difluoromethoxy)phenyl]-4-methyl-1H-imidazol-2-yl]-4-methyl-1-piperidyl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-pyridyl]morpholine
CID 118413933
4-[5-[4-[4-[5-(3-(difluoromethoxy)phenyl]-4-methyl-1H-imidazol-2-yl]-4-methyl-1-piperidyl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-pyridyl]morpholine
CID 118413994
4-Mmimpimp
CID 5487490

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-methoxyphenyl)-2-N-methyl-8-N-(3-methylphenyl)-6-morpholin-4-yl-7H-purine-2,8-diamine;9-methyl-2-N,8-N-bis(3-methylphenyl)-6-morpholin-4-ylpurine-2,8-diamine?
The IUPAC name of 2-N-(4-methoxyphenyl)-2-N-methyl-8-N-(3-methylphenyl)-6-morpholin-4-yl-7H-purine-2,8-diamine;9-methyl-2-N,8-N-bis(3-methylphenyl)-6-morpholin-4-ylpurine-2,8-diamine (CID 159608422) is 2-N-(4-methoxyphenyl)-2-N-methyl-8-N-(3-methylphenyl)-6-morpholin-4-yl-7H-purine-2,8-diamine;9-methyl-2-N,8-N-bis(3-methylphenyl)-6-morpholin-4-ylpurine-2,8-diamine.
What is the SMILES notation for 2-N-(4-methoxyphenyl)-2-N-methyl-8-N-(3-methylphenyl)-6-morpholin-4-yl-7H-purine-2,8-diamine;9-methyl-2-N,8-N-bis(3-methylphenyl)-6-morpholin-4-ylpurine-2,8-diamine?
The canonical SMILES for 2-N-(4-methoxyphenyl)-2-N-methyl-8-N-(3-methylphenyl)-6-morpholin-4-yl-7H-purine-2,8-diamine;9-methyl-2-N,8-N-bis(3-methylphenyl)-6-morpholin-4-ylpurine-2,8-diamine is COc1ccc(N(C)c2nc(N3CCOCC3)c3[nH]c(Nc4cccc(C)c4)nc3n2)cc1.Cc1cccc(Nc2nc(N3CCOCC3)c3nc(Nc4cccc(C)c4)n(C)c3n2)c1.
What is the InChIKey of 2-N-(4-methoxyphenyl)-2-N-methyl-8-N-(3-methylphenyl)-6-morpholin-4-yl-7H-purine-2,8-diamine;9-methyl-2-N,8-N-bis(3-methylphenyl)-6-morpholin-4-ylpurine-2,8-diamine?
The InChIKey is MMJGSPMJFIKIQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N7O2.C24H27N7O/c1-16-5-4-6-17(15-16)25-23-26-20-21(27-23)28-24(29-22(20)31-11-13-33-14-12-31)30(2)18-7-9-19(32-3)10-8-18;1-16-6-4-8-18(14-16)25-23-28-21-20(22(29-23)31-10-12-32-13-11-31)27-24(30(21)3)26-19-9-5-7-17(2)15-19/h4-10,15H,11-14H2,1-3H3,(H2,25,26,27,28,29);4-9,14-15H,10-13H2,1-3H3,(H,26,27)(H,25,28,29).
What are the key properties of 2-N-(4-methoxyphenyl)-2-N-methyl-8-N-(3-methylphenyl)-6-morpholin-4-yl-7H-purine-2,8-diamine;9-methyl-2-N,8-N-bis(3-methylphenyl)-6-morpholin-4-ylpurine-2,8-diamine?
2-N-(4-methoxyphenyl)-2-N-methyl-8-N-(3-methylphenyl)-6-morpholin-4-yl-7H-purine-2,8-diamine;9-methyl-2-N,8-N-bis(3-methylphenyl)-6-morpholin-4-ylpurine-2,8-diamine has a molecular weight of 875.06 g/mol, XLogP of 8.32, 11 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-methoxyphenyl)-2-N-methyl-8-N-(3-methylphenyl)-6-morpholin-4-yl-7H-purine-2,8-diamine;9-methyl-2-N,8-N-bis(3-methylphenyl)-6-morpholin-4-ylpurine-2,8-diamine is sourced from PubChem (CID 159608422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).