8-cyclopropyl-N-[(1S)-1-phenylethyl]-7H-purin-6-amine;8-cyclopropyl-N-[(1R)-1-phenylethyl]-7H-purin-6-amine;N-[(3S)-2,3-dihydro-1-benzofuran-3-yl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(1S)-1-phenylethyl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(1S)-1-pyridin-3-ylethyl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(1-pyridin-3-ylpropyl)-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-5,6,7,8-tetrahydroisoquinolin-8-amine

C123H111F18N37O2 — CID 165034555

IUPAC8-cyclopropyl-N-[(1S)-1-phenylethyl]-7H-purin-6-amine;8-cyclopropyl-N-[(1R)-1-phenylethyl]-7H-purin-6-amine;N-[(3S)-2,3-dihydro-1-benzofuran-3-yl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(1S)-1-phenylethyl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(1S)-1-pyridin-3-ylethyl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(1-pyridin-3-ylpropyl)-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-5,6,7,8-tetrahydroisoquinolin-8-amine
SMILESCCC(Nc1ncnc2[nH]cc(C(F)(F)F)c12)c1cccnc1.C[C@@H](Nc1ncnc2nc(C3CC3)[nH]c12)c1ccccc1.C[C@H](Nc1ncnc2[nH]cc(C(F)(F)F)c12)c1ccccc1.C[C@H](Nc1ncnc2[nH]cc(C(F)(F)F)c12)c1cccnc1.C[C@H](Nc1ncnc2nc(C3CC3)[nH]c12)c1ccccc1.FC(F)(F)c1c[nH]c2ncnc(NC3CCCc4ccncc43)c12.FC(F)(F)c1c[nH]c2ncnc(N[C@@H]3COc4ccccc43)c12.FC(F)(F)c1c[nH]c2ncnc(N[C@H]3CCOc4ccccc43)c12
InChIInChI=1S/C16H14F3N5.C16H13F3N4O.2C16H17N5.C15H14F3N5.C15H11F3N4O.C15H13F3N4.C14H12F3N5/c17-16(18,19)11-7-21-14-13(11)15(23-8-22-14)24-12-3-1-2-9-4-5-20-6-10(9)12;17-16(18,19)10-7-20-14-13(10)15(22-8-21-14)23-11-5-6-24-12-4-2-1-3-9(11)12;2*1-10(11-5-3-2-4-6-11)19-15-13-16(18-9-17-15)21-14(20-13)12-7-8-12;1-2-11(9-4-3-5-19-6-9)23-14-12-10(15(16,17)18)7-20-13(12)21-8-22-14;16-15(17,18)9-5-19-13-12(9)14(21-7-20-13)22-10-6-23-11-4-2-1-3-8(10)11;1-9(10-5-3-2-4-6-10)22-14-12-11(15(16,17)18)7-19-13(12)20-8-21-14;1-8(9-3-2-4-18-5-9)22-13-11-10(14(15,16)17)6-19-12(11)20-7-21-13/h4-8,12H,1-3H2,(H2,21,22,23,24);1-4,7-8,11H,5-6H2,(H2,20,21,22,23);2*2-6,9-10,12H,7-8H2,1H3,(H2,17,18,19,20,21);3-8,11H,2H2,1H3,(H2,20,21,22,23);1-5,7,10H,6H2,(H2,19,20,21,22);2-9H,1H3,(H2,19,20,21,22);2-8H,1H3,(H2,19,20,21,22)/t;11-;2*10-;;10-;9-;8-/m.010.100/s1
InChIKeyNEIPRMDHCKHOLH-IQGJSMSQSA-N
MW2481.46 g/mol
LogP29.73
Rot. Bonds24

About 8-cyclopropyl-N-[(1S)-1-phenylethyl]-7H-purin-6-amine;8-cyclopropyl-N-[(1R)-1-phenylethyl]-7H-purin-6-amine;N-[(3S)-2,3-dihydro-1-benzofuran-3-yl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(1S)-1-phenylethyl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(1S)-1-pyridin-3-ylethyl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(1-pyridin-3-ylpropyl)-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-5,6,7,8-tetrahydroisoquinolin-8-amine

8-cyclopropyl-N-[(1S)-1-phenylethyl]-7H-purin-6-amine;8-cyclopropyl-N-[(1R)-1-phenylethyl]-7H-purin-6-amine;N-[(3S)-2,3-dihydro-1-benzofuran-3-yl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(1S)-1-phenylethyl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(1S)-1-pyridin-3-ylethyl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(1-pyridin-3-ylpropyl)-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-5,6,7,8-tetrahydroisoquinolin-8-amine (PubChem CID 165034555) has the molecular formula C123H111F18N37O2 and a molecular weight of 2481.46 g/mol. Its IUPAC name is 8-cyclopropyl-N-[(1S)-1-phenylethyl]-7H-purin-6-amine;8-cyclopropyl-N-[(1R)-1-phenylethyl]-7H-purin-6-amine;N-[(3S)-2,3-dihydro-1-benzofuran-3-yl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(1S)-1-phenylethyl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(1S)-1-pyridin-3-ylethyl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(1-pyridin-3-ylpropyl)-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-5,6,7,8-tetrahydroisoquinolin-8-amine.

Molecular Properties

Compound Name8-cyclopropyl-N-[(1S)-1-phenylethyl]-7H-purin-6-amine;8-cyclopropyl-N-[(1R)-1-phenylethyl]-7H-purin-6-amine;N-[(3S)-2,3-dihydro-1-benzofuran-3-yl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(1S)-1-phenylethyl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(1S)-1-pyridin-3-ylethyl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(1-pyridin-3-ylpropyl)-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-5,6,7,8-tetrahydroisoquinolin-8-amine
PubChem CID165034555
Molecular FormulaC123H111F18N37O2
Molecular Weight2481.46 g/mol
Exact Mass2479.94
IUPAC Name8-cyclopropyl-N-[(1S)-1-phenylethyl]-7H-purin-6-amine;8-cyclopropyl-N-[(1R)-1-phenylethyl]-7H-purin-6-amine;N-[(3S)-2,3-dihydro-1-benzofuran-3-yl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(1S)-1-phenylethyl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(1S)-1-pyridin-3-ylethyl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(1-pyridin-3-ylpropyl)-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-5,6,7,8-tetrahydroisoquinolin-8-amine
SMILESCCC(Nc1ncnc2[nH]cc(C(F)(F)F)c12)c1cccnc1.C[C@@H](Nc1ncnc2nc(C3CC3)[nH]c12)c1ccccc1.C[C@H](Nc1ncnc2[nH]cc(C(F)(F)F)c12)c1ccccc1.C[C@H](Nc1ncnc2[nH]cc(C(F)(F)F)c12)c1cccnc1.C[C@H](Nc1ncnc2nc(C3CC3)[nH]c12)c1ccccc1.FC(F)(F)c1c[nH]c2ncnc(NC3CCCc4ccncc43)c12.FC(F)(F)c1c[nH]c2ncnc(N[C@@H]3COc4ccccc43)c12.FC(F)(F)c1c[nH]c2ncnc(N[C@H]3CCOc4ccccc43)c12
InChIInChI=1S/C16H14F3N5.C16H13F3N4O.2C16H17N5.C15H14F3N5.C15H11F3N4O.C15H13F3N4.C14H12F3N5/c17-16(18,19)11-7-21-14-13(11)15(23-8-22-14)24-12-3-1-2-9-4-5-20-6-10(9)12;17-16(18,19)10-7-20-14-13(10)15(22-8-21-14)23-11-5-6-24-12-4-2-1-3-9(11)12;2*1-10(11-5-3-2-4-6-11)19-15-13-16(18-9-17-15)21-14(20-13)12-7-8-12;1-2-11(9-4-3-5-19-6-9)23-14-12-10(15(16,17)18)7-20-13(12)21-8-22-14;16-15(17,18)9-5-19-13-12(9)14(21-7-20-13)22-10-6-23-11-4-2-1-3-8(10)11;1-9(10-5-3-2-4-6-10)22-14-12-11(15(16,17)18)7-19-13(12)20-8-21-14;1-8(9-3-2-4-18-5-9)22-13-11-10(14(15,16)17)6-19-12(11)20-7-21-13/h4-8,12H,1-3H2,(H2,21,22,23,24);1-4,7-8,11H,5-6H2,(H2,20,21,22,23);2*2-6,9-10,12H,7-8H2,1H3,(H2,17,18,19,20,21);3-8,11H,2H2,1H3,(H2,20,21,22,23);1-5,7,10H,6H2,(H2,19,20,21,22);2-9H,1H3,(H2,19,20,21,22);2-8H,1H3,(H2,19,20,21,22)/t;11-;2*10-;;10-;9-;8-/m.010.100/s1
InChIKeyNEIPRMDHCKHOLH-IQGJSMSQSA-N
XLogP29.73
TPSA511.71 Ų
H-Bond Donors16
H-Bond Acceptors31
Rotatable Bonds24
Heavy Atoms180
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002481.46
LogP ≤ 529.73
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1031

Analyze 8-cyclopropyl-N-[(1S)-1-phenylethyl]-7H-purin-6-amine;8-cyclopropyl-N-[(1R)-1-phenylethyl]-7H-purin-6-amine;N-[(3S)-2,3-dihydro-1-benzofuran-3-yl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(1S)-1-phenylethyl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(1S)-1-pyridin-3-ylethyl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(1-pyridin-3-ylpropyl)-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-5,6,7,8-tetrahydroisoquinolin-8-amine with MolForge

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Related Compounds

2-(benzimidazol-1-yl)-9-[2-[2-(benzimidazol-1-yl)-9-(2,3-dihydro-1-benzofuran-3-yl)-8-oxopurin-7-yl]-3,4-dihydro-2H-chromen-4-yl]-7-[4-[2-(benzimidazol-1-yl)-8-oxo-7H-purin-9-yl]-5-fluoro-3,4-dihydro-2H-chromen-2-yl]purin-8-one
CID 143306634
2-(benzimidazol-1-yl)-7-[(5S)-5-[5-(6-fluorobenzimidazol-1-yl)-2-oxo-1H-imidazo[4,5-b]pyridin-3-yl]-5-methyl-7,8-dihydro-6H-quinolin-7-yl]-9-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)purin-8-one
CID 143306686
12-(2-ethyl-3,4-dihydro-1H-isoquinolin-6-yl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-4-carbonitrile;12-(2-ethyl-3,4-dihydro-1H-isoquinolin-7-yl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-4-carbonitrile;12-[4-[(4-fluoropiperidin-1-yl)methyl]phenyl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-4-carbonitrile;12-[4-[(3-hydroxypiperidin-1-yl)methyl]phenyl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-4-carbonitrile;12-[3-methoxy-5-(piperidin-1-ylmethyl)phenyl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-4-carbonitrile;12-[4-(piperidin-1-ylmethyl)-3-(trifluoromethoxy)phenyl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-4-carbonitrile
CID 157102871
4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-1H-benzimidazole;N,N-dimethyl-1-[2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-1H-benzimidazol-4-yl]piperidin-4-amine;5-[(2S,6R)-1-methyl-6-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]piperidin-2-yl]-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine;4-[(2S,6R)-1-methyl-6-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]piperidin-2-yl]-[1,3]dioxolo[4,5-c]pyridine;4-(4-methylpiperazin-1-yl)-2-[(2R,6S)-1-methyl-6-[3-(trifluoromethoxy)-2-pyridinyl]piperidin-2-yl]-1H-benzimidazole
CID 157301116
(5-Diphenylphosphanyl-9,9-dimethylxanthen-4-yl)-diphenylphosphane;12-fluoro-13-iodo-4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;4-(12-fluoro-4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-13-yl)morpholine;morpholine;2,2,2-trifluoroacetic acid
CID 157498849
2-(2-cyclopropyl-4-fluorobenzimidazol-1-yl)-4-N-[4-(difluoromethoxy)phenyl]-5-fluoropyrimidine-4,6-diamine;2-(2-cyclopropyl-4-fluorobenzimidazol-1-yl)-5-fluoro-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)-3-fluorophenyl]-5-fluoro-2-(2-methylimidazo[4,5-b]pyridin-1-yl)pyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)phenyl]-5-fluoro-2-(2-methylimidazo[4,5-b]pyridin-1-yl)pyrimidine-4,6-diamine
CID 157581102
4-N-(1H-indol-4-yl)-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;4-N-isoquinolin-1-yl-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;5-methyl-4-N-(4-methylphenyl)-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;5-methyl-4-N-naphthalen-1-yl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 157675277
CID 157764654
CID 157764654
6-(4-ethynylphenyl)-4-[4-[5-methyl-4-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine;4-[4-[4-(4-methoxyphenyl)-5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]-6-(2-methoxy-4-pyridinyl)-7H-pyrrolo[2,3-d]pyrimidine;6-(4-methylphenyl)-4-[4-[5-methyl-4-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine
CID 157881080
N-benzyl-6-(1H-indol-5-yl)imidazo[1,2-a]pyrazin-8-amine;6-[3,5-bis(trifluoromethyl)phenyl]-N-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]imidazo[1,2-a]pyrazin-8-amine;2-[N-ethyl-4-[[6-[2-(hydroxymethyl)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]anilino]ethanol;6-(2-fluorophenyl)-N-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine;N-(1H-indol-5-yl)-6-phenylimidazo[1,2-a]pyrazin-8-amine
CID 158024480
2-[[(1R)-2-bicyclo[2.2.1]heptanyl]amino]-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile;2-(2,3-dihydro-1-benzofuran-5-ylmethylamino)-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile;2-(ethylamino)-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile;2-[(1-methylpiperidin-4-yl)amino]-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile;2-(pyridin-2-ylmethylamino)-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile
CID 158119132
6-[4-(2-methoxyphenyl)piperazin-1-yl]-7H-purine;6-(4-pyridin-2-ylpiperazin-1-yl)-7H-purine;6-(4-pyrimidin-2-ylpiperazin-1-yl)-7H-purine;6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-7H-purine
CID 158302481

Frequently Asked Questions

What is the IUPAC name of 8-cyclopropyl-N-[(1S)-1-phenylethyl]-7H-purin-6-amine;8-cyclopropyl-N-[(1R)-1-phenylethyl]-7H-purin-6-amine;N-[(3S)-2,3-dihydro-1-benzofuran-3-yl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(1S)-1-phenylethyl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(1S)-1-pyridin-3-ylethyl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(1-pyridin-3-ylpropyl)-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-5,6,7,8-tetrahydroisoquinolin-8-amine?
The IUPAC name of 8-cyclopropyl-N-[(1S)-1-phenylethyl]-7H-purin-6-amine;8-cyclopropyl-N-[(1R)-1-phenylethyl]-7H-purin-6-amine;N-[(3S)-2,3-dihydro-1-benzofuran-3-yl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(1S)-1-phenylethyl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(1S)-1-pyridin-3-ylethyl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(1-pyridin-3-ylpropyl)-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-5,6,7,8-tetrahydroisoquinolin-8-amine (CID 165034555) is 8-cyclopropyl-N-[(1S)-1-phenylethyl]-7H-purin-6-amine;8-cyclopropyl-N-[(1R)-1-phenylethyl]-7H-purin-6-amine;N-[(3S)-2,3-dihydro-1-benzofuran-3-yl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(1S)-1-phenylethyl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(1S)-1-pyridin-3-ylethyl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(1-pyridin-3-ylpropyl)-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-5,6,7,8-tetrahydroisoquinolin-8-amine.
What is the SMILES notation for 8-cyclopropyl-N-[(1S)-1-phenylethyl]-7H-purin-6-amine;8-cyclopropyl-N-[(1R)-1-phenylethyl]-7H-purin-6-amine;N-[(3S)-2,3-dihydro-1-benzofuran-3-yl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(1S)-1-phenylethyl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(1S)-1-pyridin-3-ylethyl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(1-pyridin-3-ylpropyl)-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-5,6,7,8-tetrahydroisoquinolin-8-amine?
The canonical SMILES for 8-cyclopropyl-N-[(1S)-1-phenylethyl]-7H-purin-6-amine;8-cyclopropyl-N-[(1R)-1-phenylethyl]-7H-purin-6-amine;N-[(3S)-2,3-dihydro-1-benzofuran-3-yl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(1S)-1-phenylethyl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(1S)-1-pyridin-3-ylethyl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(1-pyridin-3-ylpropyl)-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-5,6,7,8-tetrahydroisoquinolin-8-amine is CCC(Nc1ncnc2[nH]cc(C(F)(F)F)c12)c1cccnc1.C[C@@H](Nc1ncnc2nc(C3CC3)[nH]c12)c1ccccc1.C[C@H](Nc1ncnc2[nH]cc(C(F)(F)F)c12)c1ccccc1.C[C@H](Nc1ncnc2[nH]cc(C(F)(F)F)c12)c1cccnc1.C[C@H](Nc1ncnc2nc(C3CC3)[nH]c12)c1ccccc1.FC(F)(F)c1c[nH]c2ncnc(NC3CCCc4ccncc43)c12.FC(F)(F)c1c[nH]c2ncnc(N[C@@H]3COc4ccccc43)c12.FC(F)(F)c1c[nH]c2ncnc(N[C@H]3CCOc4ccccc43)c12.
What is the InChIKey of 8-cyclopropyl-N-[(1S)-1-phenylethyl]-7H-purin-6-amine;8-cyclopropyl-N-[(1R)-1-phenylethyl]-7H-purin-6-amine;N-[(3S)-2,3-dihydro-1-benzofuran-3-yl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(1S)-1-phenylethyl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(1S)-1-pyridin-3-ylethyl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(1-pyridin-3-ylpropyl)-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-5,6,7,8-tetrahydroisoquinolin-8-amine?
The InChIKey is NEIPRMDHCKHOLH-IQGJSMSQSA-N. The full InChI is InChI=1S/C16H14F3N5.C16H13F3N4O.2C16H17N5.C15H14F3N5.C15H11F3N4O.C15H13F3N4.C14H12F3N5/c17-16(18,19)11-7-21-14-13(11)15(23-8-22-14)24-12-3-1-2-9-4-5-20-6-10(9)12;17-16(18,19)10-7-20-14-13(10)15(22-8-21-14)23-11-5-6-24-12-4-2-1-3-9(11)12;2*1-10(11-5-3-2-4-6-11)19-15-13-16(18-9-17-15)21-14(20-13)12-7-8-12;1-2-11(9-4-3-5-19-6-9)23-14-12-10(15(16,17)18)7-20-13(12)21-8-22-14;16-15(17,18)9-5-19-13-12(9)14(21-7-20-13)22-10-6-23-11-4-2-1-3-8(10)11;1-9(10-5-3-2-4-6-10)22-14-12-11(15(16,17)18)7-19-13(12)20-8-21-14;1-8(9-3-2-4-18-5-9)22-13-11-10(14(15,16)17)6-19-12(11)20-7-21-13/h4-8,12H,1-3H2,(H2,21,22,23,24);1-4,7-8,11H,5-6H2,(H2,20,21,22,23);2*2-6,9-10,12H,7-8H2,1H3,(H2,17,18,19,20,21);3-8,11H,2H2,1H3,(H2,20,21,22,23);1-5,7,10H,6H2,(H2,19,20,21,22);2-9H,1H3,(H2,19,20,21,22);2-8H,1H3,(H2,19,20,21,22)/t;11-;2*10-;;10-;9-;8-/m.010.100/s1.
What are the key properties of 8-cyclopropyl-N-[(1S)-1-phenylethyl]-7H-purin-6-amine;8-cyclopropyl-N-[(1R)-1-phenylethyl]-7H-purin-6-amine;N-[(3S)-2,3-dihydro-1-benzofuran-3-yl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(1S)-1-phenylethyl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(1S)-1-pyridin-3-ylethyl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(1-pyridin-3-ylpropyl)-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-5,6,7,8-tetrahydroisoquinolin-8-amine?
8-cyclopropyl-N-[(1S)-1-phenylethyl]-7H-purin-6-amine;8-cyclopropyl-N-[(1R)-1-phenylethyl]-7H-purin-6-amine;N-[(3S)-2,3-dihydro-1-benzofuran-3-yl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(1S)-1-phenylethyl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(1S)-1-pyridin-3-ylethyl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(1-pyridin-3-ylpropyl)-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-5,6,7,8-tetrahydroisoquinolin-8-amine has a molecular weight of 2481.46 g/mol, XLogP of 29.73, 24 rotatable bonds, 16 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopropyl-N-[(1S)-1-phenylethyl]-7H-purin-6-amine;8-cyclopropyl-N-[(1R)-1-phenylethyl]-7H-purin-6-amine;N-[(3S)-2,3-dihydro-1-benzofuran-3-yl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(1S)-1-phenylethyl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(1S)-1-pyridin-3-ylethyl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(1-pyridin-3-ylpropyl)-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-5,6,7,8-tetrahydroisoquinolin-8-amine is sourced from PubChem (CID 165034555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).