2-chloro-N-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]-9-(3-fluorophenyl)purin-6-amine;2,6-dichloro-9-(3-fluorophenyl)purine;N-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]-9-(3-fluorophenyl)-2-morpholin-4-ylpurin-6-amine;(4,5-difluoro-3H-indol-2-yl)methanamine;morpholine

C66H52Cl3F9N22O2 — CID 159518577

IUPAC2-chloro-N-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]-9-(3-fluorophenyl)purin-6-amine;2,6-dichloro-9-(3-fluorophenyl)purine;N-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]-9-(3-fluorophenyl)-2-morpholin-4-ylpurin-6-amine;(4,5-difluoro-3H-indol-2-yl)methanamine;morpholine
SMILESC1COCCN1.Fc1cccc(-n2cnc3c(Cl)nc(Cl)nc32)c1.Fc1cccc(-n2cnc3c(NCc4nc5c(F)c(F)ccc5[nH]4)nc(Cl)nc32)c1.Fc1cccc(-n2cnc3c(NCc4nc5c(F)c(F)ccc5[nH]4)nc(N4CCOCC4)nc32)c1.NCC1=Nc2ccc(F)c(F)c2C1
InChIInChI=1S/C23H19F3N8O.C19H11ClF3N7.C11H5Cl2FN4.C9H8F2N2.C4H9NO/c24-13-2-1-3-14(10-13)34-12-28-20-21(31-23(32-22(20)34)33-6-8-35-9-7-33)27-11-17-29-16-5-4-15(25)18(26)19(16)30-17;20-19-28-17(24-7-13-26-12-5-4-11(22)14(23)15(12)27-13)16-18(29-19)30(8-25-16)10-3-1-2-9(21)6-10;12-9-8-10(17-11(13)16-9)18(5-15-8)7-3-1-2-6(14)4-7;10-7-1-2-8-6(9(7)11)3-5(4-12)13-8;1-3-6-4-2-5-1/h1-5,10,12H,6-9,11H2,(H,29,30)(H,27,31,32);1-6,8H,7H2,(H,26,27)(H,24,28,29);1-5H;1-2H,3-4,12H2;5H,1-4H2
InChIKeyMBNATIFBAKRGQQ-UHFFFAOYSA-N
MW1462.63 g/mol
LogP12.35
Rot. Bonds11

About 2-chloro-N-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]-9-(3-fluorophenyl)purin-6-amine;2,6-dichloro-9-(3-fluorophenyl)purine;N-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]-9-(3-fluorophenyl)-2-morpholin-4-ylpurin-6-amine;(4,5-difluoro-3H-indol-2-yl)methanamine;morpholine

2-chloro-N-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]-9-(3-fluorophenyl)purin-6-amine;2,6-dichloro-9-(3-fluorophenyl)purine;N-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]-9-(3-fluorophenyl)-2-morpholin-4-ylpurin-6-amine;(4,5-difluoro-3H-indol-2-yl)methanamine;morpholine (PubChem CID 159518577) has the molecular formula C66H52Cl3F9N22O2 and a molecular weight of 1462.63 g/mol. Its IUPAC name is 2-chloro-N-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]-9-(3-fluorophenyl)purin-6-amine;2,6-dichloro-9-(3-fluorophenyl)purine;N-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]-9-(3-fluorophenyl)-2-morpholin-4-ylpurin-6-amine;(4,5-difluoro-3H-indol-2-yl)methanamine;morpholine.

Molecular Properties

Compound Name2-chloro-N-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]-9-(3-fluorophenyl)purin-6-amine;2,6-dichloro-9-(3-fluorophenyl)purine;N-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]-9-(3-fluorophenyl)-2-morpholin-4-ylpurin-6-amine;(4,5-difluoro-3H-indol-2-yl)methanamine;morpholine
PubChem CID159518577
Molecular FormulaC66H52Cl3F9N22O2
Molecular Weight1462.63 g/mol
Exact Mass1460.36
IUPAC Name2-chloro-N-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]-9-(3-fluorophenyl)purin-6-amine;2,6-dichloro-9-(3-fluorophenyl)purine;N-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]-9-(3-fluorophenyl)-2-morpholin-4-ylpurin-6-amine;(4,5-difluoro-3H-indol-2-yl)methanamine;morpholine
SMILESC1COCCN1.Fc1cccc(-n2cnc3c(Cl)nc(Cl)nc32)c1.Fc1cccc(-n2cnc3c(NCc4nc5c(F)c(F)ccc5[nH]4)nc(Cl)nc32)c1.Fc1cccc(-n2cnc3c(NCc4nc5c(F)c(F)ccc5[nH]4)nc(N4CCOCC4)nc32)c1.NCC1=Nc2ccc(F)c(F)c2C1
InChIInChI=1S/C23H19F3N8O.C19H11ClF3N7.C11H5Cl2FN4.C9H8F2N2.C4H9NO/c24-13-2-1-3-14(10-13)34-12-28-20-21(31-23(32-22(20)34)33-6-8-35-9-7-33)27-11-17-29-16-5-4-15(25)18(26)19(16)30-17;20-19-28-17(24-7-13-26-12-5-4-11(22)14(23)15(12)27-13)16-18(29-19)30(8-25-16)10-3-1-2-9(21)6-10;12-9-8-10(17-11(13)16-9)18(5-15-8)7-3-1-2-6(14)4-7;10-7-1-2-8-6(9(7)11)3-5(4-12)13-8;1-3-6-4-2-5-1/h1-5,10,12H,6-9,11H2,(H,29,30)(H,27,31,32);1-6,8H,7H2,(H,26,27)(H,24,28,29);1-5H;1-2H,3-4,12H2;5H,1-4H2
InChIKeyMBNATIFBAKRGQQ-UHFFFAOYSA-N
XLogP12.35
TPSA284.33 Ų
H-Bond Donors6
H-Bond Acceptors22
Rotatable Bonds11
Heavy Atoms102
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001462.63
LogP ≤ 512.35
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1022

Analyze 2-chloro-N-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]-9-(3-fluorophenyl)purin-6-amine;2,6-dichloro-9-(3-fluorophenyl)purine;N-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]-9-(3-fluorophenyl)-2-morpholin-4-ylpurin-6-amine;(4,5-difluoro-3H-indol-2-yl)methanamine;morpholine with MolForge

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Related Compounds

N-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]-9-(2-methylphenyl)-2-morpholin-4-ylpurin-6-amine
CID 145973084
N-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]-2-morpholin-4-yl-9-[2-(trifluoromethyl)phenyl]purin-6-amine
CID 145977170
9-[2-(3-chlorophenyl)ethyl]-N-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]-2-morpholin-4-ylpurin-6-amine
CID 78333458
N-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]-9-[2-(3,5-difluorophenyl)ethyl]-2-morpholin-4-ylpurin-6-amine
CID 78333470
5-[2,6-bis[(3S)-3-methylmorpholin-4-yl]-7H-purin-8-yl]-1,3-dihydrobenzimidazol-2-one;(3S)-4-[2-(4,4-difluoropiperidin-1-yl)-8-(1H-indol-4-yl)-7H-purin-6-yl]-3-methylmorpholine
CID 88925583
1-[1-[[9-ethyl-2-(5-fluoroindol-1-yl)-6-morpholin-4-ylpurin-8-yl]methyl]piperidin-4-yl]-4-[[[1-[[2-(1H-indol-3-yl)-9-methyl-6-morpholin-4-ylpurin-8-yl]methyl]piperidin-4-yl]-methylamino]methyl]pyrrolidin-2-one
CID 90775981
bis[2-[4-[6-[2-(difluoromethyl)-1H-benzimidazol-4-yl]-2-morpholin-4-ylpurin-9-yl]piperidin-1-yl]pyrrolidin-1-yl]methanone
CID 123520442
4-chloro-6-methyl-2-pyridin-2-yl-1H-benzimidazole;4,6-dichloro-2-pyridin-2-yl-1H-benzimidazole;N,N-dimethyl-2-pyridin-2-yl-3H-benzimidazol-5-amine;6-methyl-2-pyridin-2-yl-1H-benzimidazole;6-piperidin-1-yl-2-pyridin-2-yl-1H-benzimidazole;4-(2-pyridin-2-yl-3H-benzimidazol-5-yl)morpholine;2-pyridin-2-yl-6-pyrrolidin-1-yl-1H-benzimidazole;2-pyridin-2-yl-4-(trifluoromethyl)-1H-benzimidazole
CID 157321799
6,6-dimethyl-4-morpholin-4-yl-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)-8,9-dihydropurino[8,9-c][1,4]oxazine;4-[2-(6-methyl-3-pyridinyl)-6,7,8,9-tetrahydropurino[9,8-a]pyridin-4-yl]morpholine;4-[2-(2-methylpyrimidin-5-yl)-7,8-dihydro-6H-purino[9,8-a]pyrrol-4-yl]morpholine;4-[2-(2-methylpyrimidin-5-yl)-6,7,8,9-tetrahydropurino[9,8-a]pyridin-4-yl]morpholine;2-[6-methyl-4-(trifluoromethyl)-3-pyridinyl]-4-morpholin-4-yl-8,9-dihydro-6H-purino[8,9-c][1,4]oxazine
CID 157587753
4-[2-(5,10-Dimethyl-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-8-yl)ethyl]morpholine;4-[2-(5,10-dimethyl-4,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)ethyl]morpholine;4-[2-(6,11-dimethyl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)ethyl]morpholine;4-[2-(12-fluoro-6,11-dimethyl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-8-yl)ethyl]morpholine;methane;4-[2-(6-methyl-5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)ethyl]morpholine;8-(2-morpholin-4-ylethyl)-10-(trifluoromethyl)-8,11-diaza-5-azoniatricyclo[7.4.0.02,7]trideca-1,3,6,9,12-pentaene 5-oxide;hydrochloride
CID 157641158
1-chloro-4-[(2S)-1-methylpyrrolidin-2-yl]-9H-pyrido[3,4-b]indole;1,9-dimethyl-4-[(2S)-1-methylpyrrolidin-2-yl]pyrido[3,4-b]indole;1-methyl-4-[(2S)-1-methylpyrrolidin-2-yl]-9H-pyrido[3,4-b]indole;9-methyl-3-[(2S)-1-methylpyrrolidin-2-yl]pyrido[2,3-b]indole;3-[(2S)-1-methylpyrrolidin-2-yl]-9H-pyrido[2,3-b]indole;3-[(2S)-1-methylpyrrolidin-2-yl]-4-(trifluoromethyl)-9H-pyrido[2,3-b]indole
CID 157781785
N-[5-[(1-cyclopropylpiperidin-4-ylidene)methyl]-2-pyridinyl]-5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-amine;N-[5-[[1-(2,2-difluoroethyl)piperidin-4-ylidene]methyl]-2-pyridinyl]-5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-amine;5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[[1-(2-methoxyethyl)piperidin-4-ylidene]methyl]-2-pyridinyl]pyrimidin-2-amine;2-[4-[[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methylidene]piperidin-1-yl]ethanol;3-[4-[[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methylidene]piperidin-1-yl]propan-1-ol;5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[[1-(2,2,2-trifluoroethyl)piperidin-4-ylidene]methyl]-2-pyridinyl]pyrimidin-2-amine
CID 158030610

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]-9-(3-fluorophenyl)purin-6-amine;2,6-dichloro-9-(3-fluorophenyl)purine;N-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]-9-(3-fluorophenyl)-2-morpholin-4-ylpurin-6-amine;(4,5-difluoro-3H-indol-2-yl)methanamine;morpholine?
The IUPAC name of 2-chloro-N-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]-9-(3-fluorophenyl)purin-6-amine;2,6-dichloro-9-(3-fluorophenyl)purine;N-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]-9-(3-fluorophenyl)-2-morpholin-4-ylpurin-6-amine;(4,5-difluoro-3H-indol-2-yl)methanamine;morpholine (CID 159518577) is 2-chloro-N-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]-9-(3-fluorophenyl)purin-6-amine;2,6-dichloro-9-(3-fluorophenyl)purine;N-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]-9-(3-fluorophenyl)-2-morpholin-4-ylpurin-6-amine;(4,5-difluoro-3H-indol-2-yl)methanamine;morpholine.
What is the SMILES notation for 2-chloro-N-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]-9-(3-fluorophenyl)purin-6-amine;2,6-dichloro-9-(3-fluorophenyl)purine;N-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]-9-(3-fluorophenyl)-2-morpholin-4-ylpurin-6-amine;(4,5-difluoro-3H-indol-2-yl)methanamine;morpholine?
The canonical SMILES for 2-chloro-N-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]-9-(3-fluorophenyl)purin-6-amine;2,6-dichloro-9-(3-fluorophenyl)purine;N-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]-9-(3-fluorophenyl)-2-morpholin-4-ylpurin-6-amine;(4,5-difluoro-3H-indol-2-yl)methanamine;morpholine is C1COCCN1.Fc1cccc(-n2cnc3c(Cl)nc(Cl)nc32)c1.Fc1cccc(-n2cnc3c(NCc4nc5c(F)c(F)ccc5[nH]4)nc(Cl)nc32)c1.Fc1cccc(-n2cnc3c(NCc4nc5c(F)c(F)ccc5[nH]4)nc(N4CCOCC4)nc32)c1.NCC1=Nc2ccc(F)c(F)c2C1.
What is the InChIKey of 2-chloro-N-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]-9-(3-fluorophenyl)purin-6-amine;2,6-dichloro-9-(3-fluorophenyl)purine;N-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]-9-(3-fluorophenyl)-2-morpholin-4-ylpurin-6-amine;(4,5-difluoro-3H-indol-2-yl)methanamine;morpholine?
The InChIKey is MBNATIFBAKRGQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N8O.C19H11ClF3N7.C11H5Cl2FN4.C9H8F2N2.C4H9NO/c24-13-2-1-3-14(10-13)34-12-28-20-21(31-23(32-22(20)34)33-6-8-35-9-7-33)27-11-17-29-16-5-4-15(25)18(26)19(16)30-17;20-19-28-17(24-7-13-26-12-5-4-11(22)14(23)15(12)27-13)16-18(29-19)30(8-25-16)10-3-1-2-9(21)6-10;12-9-8-10(17-11(13)16-9)18(5-15-8)7-3-1-2-6(14)4-7;10-7-1-2-8-6(9(7)11)3-5(4-12)13-8;1-3-6-4-2-5-1/h1-5,10,12H,6-9,11H2,(H,29,30)(H,27,31,32);1-6,8H,7H2,(H,26,27)(H,24,28,29);1-5H;1-2H,3-4,12H2;5H,1-4H2.
What are the key properties of 2-chloro-N-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]-9-(3-fluorophenyl)purin-6-amine;2,6-dichloro-9-(3-fluorophenyl)purine;N-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]-9-(3-fluorophenyl)-2-morpholin-4-ylpurin-6-amine;(4,5-difluoro-3H-indol-2-yl)methanamine;morpholine?
2-chloro-N-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]-9-(3-fluorophenyl)purin-6-amine;2,6-dichloro-9-(3-fluorophenyl)purine;N-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]-9-(3-fluorophenyl)-2-morpholin-4-ylpurin-6-amine;(4,5-difluoro-3H-indol-2-yl)methanamine;morpholine has a molecular weight of 1462.63 g/mol, XLogP of 12.35, 11 rotatable bonds, 6 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]-9-(3-fluorophenyl)purin-6-amine;2,6-dichloro-9-(3-fluorophenyl)purine;N-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]-9-(3-fluorophenyl)-2-morpholin-4-ylpurin-6-amine;(4,5-difluoro-3H-indol-2-yl)methanamine;morpholine is sourced from PubChem (CID 159518577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).