2-chloro-N-(3-methylphenyl)-6-morpholin-4-yl-7H-purin-8-amine;2-N,9-dimethyl-2-N,8-N-bis(3-methylphenyl)-6-morpholin-4-ylpurine-2,8-diamine;2-(4-fluorophenoxy)-N-(3-methylphenyl)-6-morpholin-4-yl-7H-purin-8-amine;3-[[8-(3-methylanilino)-6-morpholin-4-yl-7H-purin-2-yl]amino]phenol;2-(4-methylphenoxy)-N-(3-methylphenyl)-6-morpholin-4-yl-7H-purin-8-amine

C108H114ClFN32O8 — CID 159818849

IUPAC2-chloro-N-(3-methylphenyl)-6-morpholin-4-yl-7H-purin-8-amine;2-N,9-dimethyl-2-N,8-N-bis(3-methylphenyl)-6-morpholin-4-ylpurine-2,8-diamine;2-(4-fluorophenoxy)-N-(3-methylphenyl)-6-morpholin-4-yl-7H-purin-8-amine;3-[[8-(3-methylanilino)-6-morpholin-4-yl-7H-purin-2-yl]amino]phenol;2-(4-methylphenoxy)-N-(3-methylphenyl)-6-morpholin-4-yl-7H-purin-8-amine
SMILESCc1ccc(Oc2nc(N3CCOCC3)c3[nH]c(Nc4cccc(C)c4)nc3n2)cc1.Cc1cccc(Nc2nc3c(N4CCOCC4)nc(N(C)c4cccc(C)c4)nc3n2C)c1.Cc1cccc(Nc2nc3nc(Cl)nc(N4CCOCC4)c3[nH]2)c1.Cc1cccc(Nc2nc3nc(Nc4cccc(O)c4)nc(N4CCOCC4)c3[nH]2)c1.Cc1cccc(Nc2nc3nc(Oc4ccc(F)cc4)nc(N4CCOCC4)c3[nH]2)c1
InChIInChI=1S/C25H29N7O.C23H24N6O2.C22H21FN6O2.C22H23N7O2.C16H17ClN6O/c1-17-7-5-9-19(15-17)26-24-27-21-22(31(24)4)28-25(29-23(21)32-11-13-33-14-12-32)30(3)20-10-6-8-18(2)16-20;1-15-6-8-18(9-7-15)31-23-27-20-19(21(28-23)29-10-12-30-13-11-29)25-22(26-20)24-17-5-3-4-16(2)14-17;1-14-3-2-4-16(13-14)24-21-25-18-19(26-21)27-22(31-17-7-5-15(23)6-8-17)28-20(18)29-9-11-30-12-10-29;1-14-4-2-5-15(12-14)23-21-25-18-19(26-21)27-22(24-16-6-3-7-17(30)13-16)28-20(18)29-8-10-31-11-9-29;1-10-3-2-4-11(9-10)18-16-19-12-13(21-16)20-15(17)22-14(12)23-5-7-24-8-6-23/h5-10,15-16H,11-14H2,1-4H3,(H,26,27);3-9,14H,10-13H2,1-2H3,(H2,24,25,26,27,28);2-8,13H,9-12H2,1H3,(H2,24,25,26,27,28);2-7,12-13,30H,8-11H2,1H3,(H3,23,24,25,26,27,28);2-4,9H,5-8H2,1H3,(H2,18,19,20,21,22)
InChIKeyNLYXNDZBHSCZFZ-UHFFFAOYSA-N
MW2042.77 g/mol
LogP19.43
Rot. Bonds23

About 2-chloro-N-(3-methylphenyl)-6-morpholin-4-yl-7H-purin-8-amine;2-N,9-dimethyl-2-N,8-N-bis(3-methylphenyl)-6-morpholin-4-ylpurine-2,8-diamine;2-(4-fluorophenoxy)-N-(3-methylphenyl)-6-morpholin-4-yl-7H-purin-8-amine;3-[[8-(3-methylanilino)-6-morpholin-4-yl-7H-purin-2-yl]amino]phenol;2-(4-methylphenoxy)-N-(3-methylphenyl)-6-morpholin-4-yl-7H-purin-8-amine

2-chloro-N-(3-methylphenyl)-6-morpholin-4-yl-7H-purin-8-amine;2-N,9-dimethyl-2-N,8-N-bis(3-methylphenyl)-6-morpholin-4-ylpurine-2,8-diamine;2-(4-fluorophenoxy)-N-(3-methylphenyl)-6-morpholin-4-yl-7H-purin-8-amine;3-[[8-(3-methylanilino)-6-morpholin-4-yl-7H-purin-2-yl]amino]phenol;2-(4-methylphenoxy)-N-(3-methylphenyl)-6-morpholin-4-yl-7H-purin-8-amine (PubChem CID 159818849) has the molecular formula C108H114ClFN32O8 and a molecular weight of 2042.77 g/mol. Its IUPAC name is 2-chloro-N-(3-methylphenyl)-6-morpholin-4-yl-7H-purin-8-amine;2-N,9-dimethyl-2-N,8-N-bis(3-methylphenyl)-6-morpholin-4-ylpurine-2,8-diamine;2-(4-fluorophenoxy)-N-(3-methylphenyl)-6-morpholin-4-yl-7H-purin-8-amine;3-[[8-(3-methylanilino)-6-morpholin-4-yl-7H-purin-2-yl]amino]phenol;2-(4-methylphenoxy)-N-(3-methylphenyl)-6-morpholin-4-yl-7H-purin-8-amine.

Molecular Properties

Compound Name2-chloro-N-(3-methylphenyl)-6-morpholin-4-yl-7H-purin-8-amine;2-N,9-dimethyl-2-N,8-N-bis(3-methylphenyl)-6-morpholin-4-ylpurine-2,8-diamine;2-(4-fluorophenoxy)-N-(3-methylphenyl)-6-morpholin-4-yl-7H-purin-8-amine;3-[[8-(3-methylanilino)-6-morpholin-4-yl-7H-purin-2-yl]amino]phenol;2-(4-methylphenoxy)-N-(3-methylphenyl)-6-morpholin-4-yl-7H-purin-8-amine
PubChem CID159818849
Molecular FormulaC108H114ClFN32O8
Molecular Weight2042.77 g/mol
Exact Mass2040.92
IUPAC Name2-chloro-N-(3-methylphenyl)-6-morpholin-4-yl-7H-purin-8-amine;2-N,9-dimethyl-2-N,8-N-bis(3-methylphenyl)-6-morpholin-4-ylpurine-2,8-diamine;2-(4-fluorophenoxy)-N-(3-methylphenyl)-6-morpholin-4-yl-7H-purin-8-amine;3-[[8-(3-methylanilino)-6-morpholin-4-yl-7H-purin-2-yl]amino]phenol;2-(4-methylphenoxy)-N-(3-methylphenyl)-6-morpholin-4-yl-7H-purin-8-amine
SMILESCc1ccc(Oc2nc(N3CCOCC3)c3[nH]c(Nc4cccc(C)c4)nc3n2)cc1.Cc1cccc(Nc2nc3c(N4CCOCC4)nc(N(C)c4cccc(C)c4)nc3n2C)c1.Cc1cccc(Nc2nc3nc(Cl)nc(N4CCOCC4)c3[nH]2)c1.Cc1cccc(Nc2nc3nc(Nc4cccc(O)c4)nc(N4CCOCC4)c3[nH]2)c1.Cc1cccc(Nc2nc3nc(Oc4ccc(F)cc4)nc(N4CCOCC4)c3[nH]2)c1
InChIInChI=1S/C25H29N7O.C23H24N6O2.C22H21FN6O2.C22H23N7O2.C16H17ClN6O/c1-17-7-5-9-19(15-17)26-24-27-21-22(31(24)4)28-25(29-23(21)32-11-13-33-14-12-32)30(3)20-10-6-8-18(2)16-20;1-15-6-8-18(9-7-15)31-23-27-20-19(21(28-23)29-10-12-30-13-11-29)25-22(26-20)24-17-5-3-4-16(2)14-17;1-14-3-2-4-16(13-14)24-21-25-18-19(26-21)27-22(31-17-7-5-15(23)6-8-17)28-20(18)29-9-11-30-12-10-29;1-14-4-2-5-15(12-14)23-21-25-18-19(26-21)27-22(24-16-6-3-7-17(30)13-16)28-20(18)29-8-10-31-11-9-29;1-10-3-2-4-11(9-10)18-16-19-12-13(21-16)20-15(17)22-14(12)23-5-7-24-8-6-23/h5-10,15-16H,11-14H2,1-4H3,(H,26,27);3-9,14H,10-13H2,1-2H3,(H2,24,25,26,27,28);2-8,13H,9-12H2,1H3,(H2,24,25,26,27,28);2-7,12-13,30H,8-11H2,1H3,(H3,23,24,25,26,27,28);2-4,9H,5-8H2,1H3,(H2,18,19,20,21,22)
InChIKeyNLYXNDZBHSCZFZ-UHFFFAOYSA-N
XLogP19.43
TPSA437.90 Ų
H-Bond Donors11
H-Bond Acceptors36
Rotatable Bonds23
Heavy Atoms150
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002042.77
LogP ≤ 519.43
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1036

Analyze 2-chloro-N-(3-methylphenyl)-6-morpholin-4-yl-7H-purin-8-amine;2-N,9-dimethyl-2-N,8-N-bis(3-methylphenyl)-6-morpholin-4-ylpurine-2,8-diamine;2-(4-fluorophenoxy)-N-(3-methylphenyl)-6-morpholin-4-yl-7H-purin-8-amine;3-[[8-(3-methylanilino)-6-morpholin-4-yl-7H-purin-2-yl]amino]phenol;2-(4-methylphenoxy)-N-(3-methylphenyl)-6-morpholin-4-yl-7H-purin-8-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-methylphenyl)-6-morpholin-4-yl-7H-purin-8-amine;2-N,9-dimethyl-2-N,8-N-bis(3-methylphenyl)-6-morpholin-4-ylpurine-2,8-diamine;2-(4-fluorophenoxy)-N-(3-methylphenyl)-6-morpholin-4-yl-7H-purin-8-amine;3-[[8-(3-methylanilino)-6-morpholin-4-yl-7H-purin-2-yl]amino]phenol;2-(4-methylphenoxy)-N-(3-methylphenyl)-6-morpholin-4-yl-7H-purin-8-amine?
The IUPAC name of 2-chloro-N-(3-methylphenyl)-6-morpholin-4-yl-7H-purin-8-amine;2-N,9-dimethyl-2-N,8-N-bis(3-methylphenyl)-6-morpholin-4-ylpurine-2,8-diamine;2-(4-fluorophenoxy)-N-(3-methylphenyl)-6-morpholin-4-yl-7H-purin-8-amine;3-[[8-(3-methylanilino)-6-morpholin-4-yl-7H-purin-2-yl]amino]phenol;2-(4-methylphenoxy)-N-(3-methylphenyl)-6-morpholin-4-yl-7H-purin-8-amine (CID 159818849) is 2-chloro-N-(3-methylphenyl)-6-morpholin-4-yl-7H-purin-8-amine;2-N,9-dimethyl-2-N,8-N-bis(3-methylphenyl)-6-morpholin-4-ylpurine-2,8-diamine;2-(4-fluorophenoxy)-N-(3-methylphenyl)-6-morpholin-4-yl-7H-purin-8-amine;3-[[8-(3-methylanilino)-6-morpholin-4-yl-7H-purin-2-yl]amino]phenol;2-(4-methylphenoxy)-N-(3-methylphenyl)-6-morpholin-4-yl-7H-purin-8-amine.
What is the SMILES notation for 2-chloro-N-(3-methylphenyl)-6-morpholin-4-yl-7H-purin-8-amine;2-N,9-dimethyl-2-N,8-N-bis(3-methylphenyl)-6-morpholin-4-ylpurine-2,8-diamine;2-(4-fluorophenoxy)-N-(3-methylphenyl)-6-morpholin-4-yl-7H-purin-8-amine;3-[[8-(3-methylanilino)-6-morpholin-4-yl-7H-purin-2-yl]amino]phenol;2-(4-methylphenoxy)-N-(3-methylphenyl)-6-morpholin-4-yl-7H-purin-8-amine?
The canonical SMILES for 2-chloro-N-(3-methylphenyl)-6-morpholin-4-yl-7H-purin-8-amine;2-N,9-dimethyl-2-N,8-N-bis(3-methylphenyl)-6-morpholin-4-ylpurine-2,8-diamine;2-(4-fluorophenoxy)-N-(3-methylphenyl)-6-morpholin-4-yl-7H-purin-8-amine;3-[[8-(3-methylanilino)-6-morpholin-4-yl-7H-purin-2-yl]amino]phenol;2-(4-methylphenoxy)-N-(3-methylphenyl)-6-morpholin-4-yl-7H-purin-8-amine is Cc1ccc(Oc2nc(N3CCOCC3)c3[nH]c(Nc4cccc(C)c4)nc3n2)cc1.Cc1cccc(Nc2nc3c(N4CCOCC4)nc(N(C)c4cccc(C)c4)nc3n2C)c1.Cc1cccc(Nc2nc3nc(Cl)nc(N4CCOCC4)c3[nH]2)c1.Cc1cccc(Nc2nc3nc(Nc4cccc(O)c4)nc(N4CCOCC4)c3[nH]2)c1.Cc1cccc(Nc2nc3nc(Oc4ccc(F)cc4)nc(N4CCOCC4)c3[nH]2)c1.
What is the InChIKey of 2-chloro-N-(3-methylphenyl)-6-morpholin-4-yl-7H-purin-8-amine;2-N,9-dimethyl-2-N,8-N-bis(3-methylphenyl)-6-morpholin-4-ylpurine-2,8-diamine;2-(4-fluorophenoxy)-N-(3-methylphenyl)-6-morpholin-4-yl-7H-purin-8-amine;3-[[8-(3-methylanilino)-6-morpholin-4-yl-7H-purin-2-yl]amino]phenol;2-(4-methylphenoxy)-N-(3-methylphenyl)-6-morpholin-4-yl-7H-purin-8-amine?
The InChIKey is NLYXNDZBHSCZFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N7O.C23H24N6O2.C22H21FN6O2.C22H23N7O2.C16H17ClN6O/c1-17-7-5-9-19(15-17)26-24-27-21-22(31(24)4)28-25(29-23(21)32-11-13-33-14-12-32)30(3)20-10-6-8-18(2)16-20;1-15-6-8-18(9-7-15)31-23-27-20-19(21(28-23)29-10-12-30-13-11-29)25-22(26-20)24-17-5-3-4-16(2)14-17;1-14-3-2-4-16(13-14)24-21-25-18-19(26-21)27-22(31-17-7-5-15(23)6-8-17)28-20(18)29-9-11-30-12-10-29;1-14-4-2-5-15(12-14)23-21-25-18-19(26-21)27-22(24-16-6-3-7-17(30)13-16)28-20(18)29-8-10-31-11-9-29;1-10-3-2-4-11(9-10)18-16-19-12-13(21-16)20-15(17)22-14(12)23-5-7-24-8-6-23/h5-10,15-16H,11-14H2,1-4H3,(H,26,27);3-9,14H,10-13H2,1-2H3,(H2,24,25,26,27,28);2-8,13H,9-12H2,1H3,(H2,24,25,26,27,28);2-7,12-13,30H,8-11H2,1H3,(H3,23,24,25,26,27,28);2-4,9H,5-8H2,1H3,(H2,18,19,20,21,22).
What are the key properties of 2-chloro-N-(3-methylphenyl)-6-morpholin-4-yl-7H-purin-8-amine;2-N,9-dimethyl-2-N,8-N-bis(3-methylphenyl)-6-morpholin-4-ylpurine-2,8-diamine;2-(4-fluorophenoxy)-N-(3-methylphenyl)-6-morpholin-4-yl-7H-purin-8-amine;3-[[8-(3-methylanilino)-6-morpholin-4-yl-7H-purin-2-yl]amino]phenol;2-(4-methylphenoxy)-N-(3-methylphenyl)-6-morpholin-4-yl-7H-purin-8-amine?
2-chloro-N-(3-methylphenyl)-6-morpholin-4-yl-7H-purin-8-amine;2-N,9-dimethyl-2-N,8-N-bis(3-methylphenyl)-6-morpholin-4-ylpurine-2,8-diamine;2-(4-fluorophenoxy)-N-(3-methylphenyl)-6-morpholin-4-yl-7H-purin-8-amine;3-[[8-(3-methylanilino)-6-morpholin-4-yl-7H-purin-2-yl]amino]phenol;2-(4-methylphenoxy)-N-(3-methylphenyl)-6-morpholin-4-yl-7H-purin-8-amine has a molecular weight of 2042.77 g/mol, XLogP of 19.43, 23 rotatable bonds, 11 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-methylphenyl)-6-morpholin-4-yl-7H-purin-8-amine;2-N,9-dimethyl-2-N,8-N-bis(3-methylphenyl)-6-morpholin-4-ylpurine-2,8-diamine;2-(4-fluorophenoxy)-N-(3-methylphenyl)-6-morpholin-4-yl-7H-purin-8-amine;3-[[8-(3-methylanilino)-6-morpholin-4-yl-7H-purin-2-yl]amino]phenol;2-(4-methylphenoxy)-N-(3-methylphenyl)-6-morpholin-4-yl-7H-purin-8-amine is sourced from PubChem (CID 159818849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).