4-[6-(2H-benzotriazol-5-yl)-9-benzylpurin-2-yl]morpholine;4-(9-benzyl-2-morpholin-4-ylpurin-6-yl)benzene-1,2-diamine;5-(9-benzyl-2-morpholin-4-ylpurin-6-yl)-1,3-dihydrobenzimidazol-2-one;3-[9-[(3,5-difluorophenyl)methyl]-2-morpholin-4-ylpurin-6-yl]phenol;3-[2-morpholin-4-yl-9-(1-phenylethyl)purin-6-yl]phenol

C112H106F2N32O8 — CID 157351441

IUPAC4-[6-(2H-benzotriazol-5-yl)-9-benzylpurin-2-yl]morpholine;4-(9-benzyl-2-morpholin-4-ylpurin-6-yl)benzene-1,2-diamine;5-(9-benzyl-2-morpholin-4-ylpurin-6-yl)-1,3-dihydrobenzimidazol-2-one;3-[9-[(3,5-difluorophenyl)methyl]-2-morpholin-4-ylpurin-6-yl]phenol;3-[2-morpholin-4-yl-9-(1-phenylethyl)purin-6-yl]phenol
SMILESCC(c1ccccc1)n1cnc2c(-c3cccc(O)c3)nc(N3CCOCC3)nc21.Nc1ccc(-c2nc(N3CCOCC3)nc3c2ncn3Cc2ccccc2)cc1N.O=c1[nH]c2ccc(-c3nc(N4CCOCC4)nc4c3ncn4Cc3ccccc3)cc2[nH]1.Oc1cccc(-c2nc(N3CCOCC3)nc3c2ncn3Cc2cc(F)cc(F)c2)c1.c1ccc(Cn2cnc3c(-c4ccc5n[nH]nc5c4)nc(N4CCOCC4)nc32)cc1
InChIInChI=1S/C23H21N7O2.C23H23N5O2.C22H19F2N5O2.C22H20N8O.C22H23N7O/c31-23-25-17-7-6-16(12-18(17)26-23)19-20-21(28-22(27-19)29-8-10-32-11-9-29)30(14-24-20)13-15-4-2-1-3-5-15;1-16(17-6-3-2-4-7-17)28-15-24-21-20(18-8-5-9-19(29)14-18)25-23(26-22(21)28)27-10-12-30-13-11-27;23-16-8-14(9-17(24)11-16)12-29-13-25-20-19(15-2-1-3-18(30)10-15)26-22(27-21(20)29)28-4-6-31-7-5-28;1-2-4-15(5-3-1)13-30-14-23-20-19(16-6-7-17-18(12-16)27-28-26-17)24-22(25-21(20)30)29-8-10-31-11-9-29;23-17-7-6-16(12-18(17)24)19-20-21(27-22(26-19)28-8-10-30-11-9-28)29(14-25-20)13-15-4-2-1-3-5-15/h1-7,12,14H,8-11,13H2,(H2,25,26,31);2-9,14-16,29H,10-13H2,1H3;1-3,8-11,13,30H,4-7,12H2;1-7,12,14H,8-11,13H2,(H,26,27,28);1-7,12,14H,8-11,13,23-24H2
InChIKeyBHOSTIZFTOUUOR-UHFFFAOYSA-N
MW2066.29 g/mol
LogP14.75
Rot. Bonds20

About 4-[6-(2H-benzotriazol-5-yl)-9-benzylpurin-2-yl]morpholine;4-(9-benzyl-2-morpholin-4-ylpurin-6-yl)benzene-1,2-diamine;5-(9-benzyl-2-morpholin-4-ylpurin-6-yl)-1,3-dihydrobenzimidazol-2-one;3-[9-[(3,5-difluorophenyl)methyl]-2-morpholin-4-ylpurin-6-yl]phenol;3-[2-morpholin-4-yl-9-(1-phenylethyl)purin-6-yl]phenol

4-[6-(2H-benzotriazol-5-yl)-9-benzylpurin-2-yl]morpholine;4-(9-benzyl-2-morpholin-4-ylpurin-6-yl)benzene-1,2-diamine;5-(9-benzyl-2-morpholin-4-ylpurin-6-yl)-1,3-dihydrobenzimidazol-2-one;3-[9-[(3,5-difluorophenyl)methyl]-2-morpholin-4-ylpurin-6-yl]phenol;3-[2-morpholin-4-yl-9-(1-phenylethyl)purin-6-yl]phenol (PubChem CID 157351441) has the molecular formula C112H106F2N32O8 and a molecular weight of 2066.29 g/mol. Its IUPAC name is 4-[6-(2H-benzotriazol-5-yl)-9-benzylpurin-2-yl]morpholine;4-(9-benzyl-2-morpholin-4-ylpurin-6-yl)benzene-1,2-diamine;5-(9-benzyl-2-morpholin-4-ylpurin-6-yl)-1,3-dihydrobenzimidazol-2-one;3-[9-[(3,5-difluorophenyl)methyl]-2-morpholin-4-ylpurin-6-yl]phenol;3-[2-morpholin-4-yl-9-(1-phenylethyl)purin-6-yl]phenol.

Molecular Properties

Compound Name4-[6-(2H-benzotriazol-5-yl)-9-benzylpurin-2-yl]morpholine;4-(9-benzyl-2-morpholin-4-ylpurin-6-yl)benzene-1,2-diamine;5-(9-benzyl-2-morpholin-4-ylpurin-6-yl)-1,3-dihydrobenzimidazol-2-one;3-[9-[(3,5-difluorophenyl)methyl]-2-morpholin-4-ylpurin-6-yl]phenol;3-[2-morpholin-4-yl-9-(1-phenylethyl)purin-6-yl]phenol
PubChem CID157351441
Molecular FormulaC112H106F2N32O8
Molecular Weight2066.29 g/mol
Exact Mass2064.88
IUPAC Name4-[6-(2H-benzotriazol-5-yl)-9-benzylpurin-2-yl]morpholine;4-(9-benzyl-2-morpholin-4-ylpurin-6-yl)benzene-1,2-diamine;5-(9-benzyl-2-morpholin-4-ylpurin-6-yl)-1,3-dihydrobenzimidazol-2-one;3-[9-[(3,5-difluorophenyl)methyl]-2-morpholin-4-ylpurin-6-yl]phenol;3-[2-morpholin-4-yl-9-(1-phenylethyl)purin-6-yl]phenol
SMILESCC(c1ccccc1)n1cnc2c(-c3cccc(O)c3)nc(N3CCOCC3)nc21.Nc1ccc(-c2nc(N3CCOCC3)nc3c2ncn3Cc2ccccc2)cc1N.O=c1[nH]c2ccc(-c3nc(N4CCOCC4)nc4c3ncn4Cc3ccccc3)cc2[nH]1.Oc1cccc(-c2nc(N3CCOCC3)nc3c2ncn3Cc2cc(F)cc(F)c2)c1.c1ccc(Cn2cnc3c(-c4ccc5n[nH]nc5c4)nc(N4CCOCC4)nc32)cc1
InChIInChI=1S/C23H21N7O2.C23H23N5O2.C22H19F2N5O2.C22H20N8O.C22H23N7O/c31-23-25-17-7-6-16(12-18(17)26-23)19-20-21(28-22(27-19)29-8-10-32-11-9-29)30(14-24-20)13-15-4-2-1-3-5-15;1-16(17-6-3-2-4-7-17)28-15-24-21-20(18-8-5-9-19(29)14-18)25-23(26-22(21)28)27-10-12-30-13-11-27;23-16-8-14(9-17(24)11-16)12-29-13-25-20-19(15-2-1-3-18(30)10-15)26-22(27-21(20)29)28-4-6-31-7-5-28;1-2-4-15(5-3-1)13-30-14-23-20-19(16-6-7-17-18(12-16)27-28-26-17)24-22(25-21(20)30)29-8-10-31-11-9-29;23-17-7-6-16(12-18(17)24)19-20-21(27-22(26-19)28-8-10-30-11-9-28)29(14-25-20)13-15-4-2-1-3-5-15/h1-7,12,14H,8-11,13H2,(H2,25,26,31);2-9,14-16,29H,10-13H2,1H3;1-3,8-11,13,30H,4-7,12H2;1-7,12,14H,8-11,13H2,(H,26,27,28);1-7,12,14H,8-11,13,23-24H2
InChIKeyBHOSTIZFTOUUOR-UHFFFAOYSA-N
XLogP14.75
TPSA463.07 Ų
H-Bond Donors7
H-Bond Acceptors37
Rotatable Bonds20
Heavy Atoms154
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002066.29
LogP ≤ 514.75
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1037

Computed Properties (RDKit)

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

Analyze 4-[6-(2H-benzotriazol-5-yl)-9-benzylpurin-2-yl]morpholine;4-(9-benzyl-2-morpholin-4-ylpurin-6-yl)benzene-1,2-diamine;5-(9-benzyl-2-morpholin-4-ylpurin-6-yl)-1,3-dihydrobenzimidazol-2-one;3-[9-[(3,5-difluorophenyl)methyl]-2-morpholin-4-ylpurin-6-yl]phenol;3-[2-morpholin-4-yl-9-(1-phenylethyl)purin-6-yl]phenol with MolForge

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Related Compounds

4-[6-(3H-benzimidazol-5-yl)-9-benzylpurin-2-yl]morpholine;3-(9-benzyl-2-morpholin-4-ylpurin-6-yl)aniline;N-[4-[[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]methyl]phenyl]-3-piperidin-1-ylpropanamide;3-[9-(3-methylphenyl)-2-morpholin-4-ylpurin-6-yl]phenol;3-[2-morpholin-4-yl-9-[[4-(trifluoromethyl)phenyl]methyl]purin-6-yl]phenol
CID 158739479
4-[6-(3H-benzimidazol-5-yl)-9-benzylpurin-2-yl]morpholine;3-(9-benzyl-2-morpholin-4-ylpurin-6-yl)aniline;3-[9-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-morpholin-4-ylpurin-6-yl]phenol;N-[4-[[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]methyl]phenyl]-3-piperidin-1-ylpropanamide;3-[9-(3-methylphenyl)-2-morpholin-4-ylpurin-6-yl]phenol
CID 162135954
CID 172917200
CID 172917200
CID 172917990
CID 172917990
5-fluoro-N-[(E)-[5-[3-(4-methylimidazol-1-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-pyridin-3-ylpyrimidin-2-amine;3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-5-(4-methylimidazol-1-yl)phenol;3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-5-(4-methylpyrazolidin-1-yl)phenol;3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-5-(5-methylpyrazolidin-1-yl)phenol
CID 172919499
5-fluoro-N-[(E)-[5-[3-(4-methylimidazol-1-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-pyridin-3-ylpyrimidin-2-amine;3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-5-(4-methylimidazol-1-yl)phenol;3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-5-(5-methylpyrazolidin-1-yl)phenol
CID 172938748
5-fluoro-N-[(E)-[5-[3-(4-methylimidazol-1-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-5-(4-methylimidazol-1-yl)phenol;3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-5-(4-methylpyrazolidin-1-yl)phenol;3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-5-(5-methylpyrazolidin-1-yl)phenol
CID 172965486
3-[4-[[6-[(E)-[[4-(3-ethylmorpholin-4-yl)-5-fluoropyrimidin-2-yl]hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;bis(3-[4-[[6-[(E)-[[5-fluoro-4-(3-methylmorpholin-4-yl)pyrimidin-2-yl]hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol);5-fluoro-N-[(E)-[5-[3-(3-methylpyrazolidin-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-(4-methylpyrazolidin-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-(5-methylpyrazolidin-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine
CID 172971397
5-fluoro-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;bis(3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-5-(4-methylimidazol-1-yl)phenol);3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-5-(4-methylpyrazolidin-1-yl)phenol;3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-5-(5-methylpyrazolidin-1-yl)phenol
CID 172972199
CID 172972971
CID 172972971
CID 172987622
CID 172987622
4-[9-benzyl-6-(1H-inden-4-yl)purin-2-yl]morpholine;2-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]-1-(4-methylpiperazin-1-yl)ethanone;4-[6-(1H-inden-4-yl)-9-(2-methoxyethyl)purin-2-yl]morpholine;4-[6-(1H-inden-4-yl)-9-(1-phenylethyl)purin-2-yl]morpholine
CID 123135964

Frequently Asked Questions

What is the IUPAC name of 4-[6-(2H-benzotriazol-5-yl)-9-benzylpurin-2-yl]morpholine;4-(9-benzyl-2-morpholin-4-ylpurin-6-yl)benzene-1,2-diamine;5-(9-benzyl-2-morpholin-4-ylpurin-6-yl)-1,3-dihydrobenzimidazol-2-one;3-[9-[(3,5-difluorophenyl)methyl]-2-morpholin-4-ylpurin-6-yl]phenol;3-[2-morpholin-4-yl-9-(1-phenylethyl)purin-6-yl]phenol?
The IUPAC name of 4-[6-(2H-benzotriazol-5-yl)-9-benzylpurin-2-yl]morpholine;4-(9-benzyl-2-morpholin-4-ylpurin-6-yl)benzene-1,2-diamine;5-(9-benzyl-2-morpholin-4-ylpurin-6-yl)-1,3-dihydrobenzimidazol-2-one;3-[9-[(3,5-difluorophenyl)methyl]-2-morpholin-4-ylpurin-6-yl]phenol;3-[2-morpholin-4-yl-9-(1-phenylethyl)purin-6-yl]phenol (CID 157351441) is 4-[6-(2H-benzotriazol-5-yl)-9-benzylpurin-2-yl]morpholine;4-(9-benzyl-2-morpholin-4-ylpurin-6-yl)benzene-1,2-diamine;5-(9-benzyl-2-morpholin-4-ylpurin-6-yl)-1,3-dihydrobenzimidazol-2-one;3-[9-[(3,5-difluorophenyl)methyl]-2-morpholin-4-ylpurin-6-yl]phenol;3-[2-morpholin-4-yl-9-(1-phenylethyl)purin-6-yl]phenol.
What is the SMILES notation for 4-[6-(2H-benzotriazol-5-yl)-9-benzylpurin-2-yl]morpholine;4-(9-benzyl-2-morpholin-4-ylpurin-6-yl)benzene-1,2-diamine;5-(9-benzyl-2-morpholin-4-ylpurin-6-yl)-1,3-dihydrobenzimidazol-2-one;3-[9-[(3,5-difluorophenyl)methyl]-2-morpholin-4-ylpurin-6-yl]phenol;3-[2-morpholin-4-yl-9-(1-phenylethyl)purin-6-yl]phenol?
The canonical SMILES for 4-[6-(2H-benzotriazol-5-yl)-9-benzylpurin-2-yl]morpholine;4-(9-benzyl-2-morpholin-4-ylpurin-6-yl)benzene-1,2-diamine;5-(9-benzyl-2-morpholin-4-ylpurin-6-yl)-1,3-dihydrobenzimidazol-2-one;3-[9-[(3,5-difluorophenyl)methyl]-2-morpholin-4-ylpurin-6-yl]phenol;3-[2-morpholin-4-yl-9-(1-phenylethyl)purin-6-yl]phenol is CC(c1ccccc1)n1cnc2c(-c3cccc(O)c3)nc(N3CCOCC3)nc21.Nc1ccc(-c2nc(N3CCOCC3)nc3c2ncn3Cc2ccccc2)cc1N.O=c1[nH]c2ccc(-c3nc(N4CCOCC4)nc4c3ncn4Cc3ccccc3)cc2[nH]1.Oc1cccc(-c2nc(N3CCOCC3)nc3c2ncn3Cc2cc(F)cc(F)c2)c1.c1ccc(Cn2cnc3c(-c4ccc5n[nH]nc5c4)nc(N4CCOCC4)nc32)cc1.
What is the InChIKey of 4-[6-(2H-benzotriazol-5-yl)-9-benzylpurin-2-yl]morpholine;4-(9-benzyl-2-morpholin-4-ylpurin-6-yl)benzene-1,2-diamine;5-(9-benzyl-2-morpholin-4-ylpurin-6-yl)-1,3-dihydrobenzimidazol-2-one;3-[9-[(3,5-difluorophenyl)methyl]-2-morpholin-4-ylpurin-6-yl]phenol;3-[2-morpholin-4-yl-9-(1-phenylethyl)purin-6-yl]phenol?
The InChIKey is BHOSTIZFTOUUOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N7O2.C23H23N5O2.C22H19F2N5O2.C22H20N8O.C22H23N7O/c31-23-25-17-7-6-16(12-18(17)26-23)19-20-21(28-22(27-19)29-8-10-32-11-9-29)30(14-24-20)13-15-4-2-1-3-5-15;1-16(17-6-3-2-4-7-17)28-15-24-21-20(18-8-5-9-19(29)14-18)25-23(26-22(21)28)27-10-12-30-13-11-27;23-16-8-14(9-17(24)11-16)12-29-13-25-20-19(15-2-1-3-18(30)10-15)26-22(27-21(20)29)28-4-6-31-7-5-28;1-2-4-15(5-3-1)13-30-14-23-20-19(16-6-7-17-18(12-16)27-28-26-17)24-22(25-21(20)30)29-8-10-31-11-9-29;23-17-7-6-16(12-18(17)24)19-20-21(27-22(26-19)28-8-10-30-11-9-28)29(14-25-20)13-15-4-2-1-3-5-15/h1-7,12,14H,8-11,13H2,(H2,25,26,31);2-9,14-16,29H,10-13H2,1H3;1-3,8-11,13,30H,4-7,12H2;1-7,12,14H,8-11,13H2,(H,26,27,28);1-7,12,14H,8-11,13,23-24H2.
What are the key properties of 4-[6-(2H-benzotriazol-5-yl)-9-benzylpurin-2-yl]morpholine;4-(9-benzyl-2-morpholin-4-ylpurin-6-yl)benzene-1,2-diamine;5-(9-benzyl-2-morpholin-4-ylpurin-6-yl)-1,3-dihydrobenzimidazol-2-one;3-[9-[(3,5-difluorophenyl)methyl]-2-morpholin-4-ylpurin-6-yl]phenol;3-[2-morpholin-4-yl-9-(1-phenylethyl)purin-6-yl]phenol?
4-[6-(2H-benzotriazol-5-yl)-9-benzylpurin-2-yl]morpholine;4-(9-benzyl-2-morpholin-4-ylpurin-6-yl)benzene-1,2-diamine;5-(9-benzyl-2-morpholin-4-ylpurin-6-yl)-1,3-dihydrobenzimidazol-2-one;3-[9-[(3,5-difluorophenyl)methyl]-2-morpholin-4-ylpurin-6-yl]phenol;3-[2-morpholin-4-yl-9-(1-phenylethyl)purin-6-yl]phenol has a molecular weight of 2066.29 g/mol, XLogP of 14.75, 20 rotatable bonds, 7 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(2H-benzotriazol-5-yl)-9-benzylpurin-2-yl]morpholine;4-(9-benzyl-2-morpholin-4-ylpurin-6-yl)benzene-1,2-diamine;5-(9-benzyl-2-morpholin-4-ylpurin-6-yl)-1,3-dihydrobenzimidazol-2-one;3-[9-[(3,5-difluorophenyl)methyl]-2-morpholin-4-ylpurin-6-yl]phenol;3-[2-morpholin-4-yl-9-(1-phenylethyl)purin-6-yl]phenol is sourced from PubChem (CID 157351441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).