N-(2-adamantyl)-2-fluoro-7-methylpyrrolo[2,3-d]pyrimidin-4-amine;(2R)-2-[[4-(benzylamino)-7-methylpyrrolo[2,3-d]pyrimidin-2-yl]amino]butan-1-ol;(2R)-2-[[6-(benzylamino)-9-propan-2-ylpurin-2-yl]-methylamino]butan-1-ol;2-fluoro-N-[(2-fluoro-6-methylphenyl)methyl]-9-methylpurin-6-amine;2-fluoro-N-[(4-fluorophenyl)methyl]-9-methylpurin-6-amine;2-fluoro-N-[(2-methoxyphenyl)methyl]-9-methylpurin-6-amine;2-fluoro-9-methyl-N-[(2-methylphenyl)methyl]purin-6-amine

C110H124F7N35O3 — CID 161416425

IUPACN-(2-adamantyl)-2-fluoro-7-methylpyrrolo[2,3-d]pyrimidin-4-amine;(2R)-2-[[4-(benzylamino)-7-methylpyrrolo[2,3-d]pyrimidin-2-yl]amino]butan-1-ol;(2R)-2-[[6-(benzylamino)-9-propan-2-ylpurin-2-yl]-methylamino]butan-1-ol;2-fluoro-N-[(2-fluoro-6-methylphenyl)methyl]-9-methylpurin-6-amine;2-fluoro-N-[(4-fluorophenyl)methyl]-9-methylpurin-6-amine;2-fluoro-N-[(2-methoxyphenyl)methyl]-9-methylpurin-6-amine;2-fluoro-9-methyl-N-[(2-methylphenyl)methyl]purin-6-amine
SMILESCC[C@H](CO)N(C)c1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1.CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ccn(C)c2n1.COc1ccccc1CNc1nc(F)nc2c1ncn2C.Cc1cccc(F)c1CNc1nc(F)nc2c1ncn2C.Cc1ccccc1CNc1nc(F)nc2c1ncn2C.Cn1ccc2c(NC3C4CC5CC(C4)CC3C5)nc(F)nc21.Cn1cnc2c(NCc3ccc(F)cc3)nc(F)nc21
InChIInChI=1S/C20H28N6O.C18H23N5O.C17H21FN4.C14H13F2N5.C14H14FN5O.C14H14FN5.C13H11F2N5/c1-5-16(12-27)25(4)20-23-18(21-11-15-9-7-6-8-10-15)17-19(24-20)26(13-22-17)14(2)3;1-3-14(12-24)20-18-21-16(15-9-10-23(2)17(15)22-18)19-11-13-7-5-4-6-8-13;1-22-3-2-13-15(20-17(18)21-16(13)22)19-14-11-5-9-4-10(7-11)8-12(14)6-9;1-8-4-3-5-10(15)9(8)6-17-12-11-13(20-14(16)19-12)21(2)7-18-11;1-20-8-17-11-12(18-14(15)19-13(11)20)16-7-9-5-3-4-6-10(9)21-2;1-9-5-3-4-6-10(9)7-16-12-11-13(19-14(15)18-12)20(2)8-17-11;1-20-7-17-10-11(18-13(15)19-12(10)20)16-6-8-2-4-9(14)5-3-8/h6-10,13-14,16,27H,5,11-12H2,1-4H3,(H,21,23,24);4-10,14,24H,3,11-12H2,1-2H3,(H2,19,20,21,22);2-3,9-12,14H,4-8H2,1H3,(H,19,20,21);3-5,7H,6H2,1-2H3,(H,17,19,20);3-6,8H,7H2,1-2H3,(H,16,18,19);3-6,8H,7H2,1-2H3,(H,16,18,19);2-5,7H,6H2,1H3,(H,16,18,19)/t16-;14-;;;;;/m11...../s1
InChIKeyVWDIPJGHSYKOPY-ZWLAKYHBSA-N
MW2117.43 g/mol
LogP18.70
Rot. Bonds30

About N-(2-adamantyl)-2-fluoro-7-methylpyrrolo[2,3-d]pyrimidin-4-amine;(2R)-2-[[4-(benzylamino)-7-methylpyrrolo[2,3-d]pyrimidin-2-yl]amino]butan-1-ol;(2R)-2-[[6-(benzylamino)-9-propan-2-ylpurin-2-yl]-methylamino]butan-1-ol;2-fluoro-N-[(2-fluoro-6-methylphenyl)methyl]-9-methylpurin-6-amine;2-fluoro-N-[(4-fluorophenyl)methyl]-9-methylpurin-6-amine;2-fluoro-N-[(2-methoxyphenyl)methyl]-9-methylpurin-6-amine;2-fluoro-9-methyl-N-[(2-methylphenyl)methyl]purin-6-amine

N-(2-adamantyl)-2-fluoro-7-methylpyrrolo[2,3-d]pyrimidin-4-amine;(2R)-2-[[4-(benzylamino)-7-methylpyrrolo[2,3-d]pyrimidin-2-yl]amino]butan-1-ol;(2R)-2-[[6-(benzylamino)-9-propan-2-ylpurin-2-yl]-methylamino]butan-1-ol;2-fluoro-N-[(2-fluoro-6-methylphenyl)methyl]-9-methylpurin-6-amine;2-fluoro-N-[(4-fluorophenyl)methyl]-9-methylpurin-6-amine;2-fluoro-N-[(2-methoxyphenyl)methyl]-9-methylpurin-6-amine;2-fluoro-9-methyl-N-[(2-methylphenyl)methyl]purin-6-amine (PubChem CID 161416425) has the molecular formula C110H124F7N35O3 and a molecular weight of 2117.43 g/mol. Its IUPAC name is N-(2-adamantyl)-2-fluoro-7-methylpyrrolo[2,3-d]pyrimidin-4-amine;(2R)-2-[[4-(benzylamino)-7-methylpyrrolo[2,3-d]pyrimidin-2-yl]amino]butan-1-ol;(2R)-2-[[6-(benzylamino)-9-propan-2-ylpurin-2-yl]-methylamino]butan-1-ol;2-fluoro-N-[(2-fluoro-6-methylphenyl)methyl]-9-methylpurin-6-amine;2-fluoro-N-[(4-fluorophenyl)methyl]-9-methylpurin-6-amine;2-fluoro-N-[(2-methoxyphenyl)methyl]-9-methylpurin-6-amine;2-fluoro-9-methyl-N-[(2-methylphenyl)methyl]purin-6-amine.

Molecular Properties

Compound NameN-(2-adamantyl)-2-fluoro-7-methylpyrrolo[2,3-d]pyrimidin-4-amine;(2R)-2-[[4-(benzylamino)-7-methylpyrrolo[2,3-d]pyrimidin-2-yl]amino]butan-1-ol;(2R)-2-[[6-(benzylamino)-9-propan-2-ylpurin-2-yl]-methylamino]butan-1-ol;2-fluoro-N-[(2-fluoro-6-methylphenyl)methyl]-9-methylpurin-6-amine;2-fluoro-N-[(4-fluorophenyl)methyl]-9-methylpurin-6-amine;2-fluoro-N-[(2-methoxyphenyl)methyl]-9-methylpurin-6-amine;2-fluoro-9-methyl-N-[(2-methylphenyl)methyl]purin-6-amine
PubChem CID161416425
Molecular FormulaC110H124F7N35O3
Molecular Weight2117.43 g/mol
Exact Mass2116.05
IUPAC NameN-(2-adamantyl)-2-fluoro-7-methylpyrrolo[2,3-d]pyrimidin-4-amine;(2R)-2-[[4-(benzylamino)-7-methylpyrrolo[2,3-d]pyrimidin-2-yl]amino]butan-1-ol;(2R)-2-[[6-(benzylamino)-9-propan-2-ylpurin-2-yl]-methylamino]butan-1-ol;2-fluoro-N-[(2-fluoro-6-methylphenyl)methyl]-9-methylpurin-6-amine;2-fluoro-N-[(4-fluorophenyl)methyl]-9-methylpurin-6-amine;2-fluoro-N-[(2-methoxyphenyl)methyl]-9-methylpurin-6-amine;2-fluoro-9-methyl-N-[(2-methylphenyl)methyl]purin-6-amine
SMILESCC[C@H](CO)N(C)c1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1.CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ccn(C)c2n1.COc1ccccc1CNc1nc(F)nc2c1ncn2C.Cc1cccc(F)c1CNc1nc(F)nc2c1ncn2C.Cc1ccccc1CNc1nc(F)nc2c1ncn2C.Cn1ccc2c(NC3C4CC5CC(C4)CC3C5)nc(F)nc21.Cn1cnc2c(NCc3ccc(F)cc3)nc(F)nc21
InChIInChI=1S/C20H28N6O.C18H23N5O.C17H21FN4.C14H13F2N5.C14H14FN5O.C14H14FN5.C13H11F2N5/c1-5-16(12-27)25(4)20-23-18(21-11-15-9-7-6-8-10-15)17-19(24-20)26(13-22-17)14(2)3;1-3-14(12-24)20-18-21-16(15-9-10-23(2)17(15)22-18)19-11-13-7-5-4-6-8-13;1-22-3-2-13-15(20-17(18)21-16(13)22)19-14-11-5-9-4-10(7-11)8-12(14)6-9;1-8-4-3-5-10(15)9(8)6-17-12-11-13(20-14(16)19-12)21(2)7-18-11;1-20-8-17-11-12(18-14(15)19-13(11)20)16-7-9-5-3-4-6-10(9)21-2;1-9-5-3-4-6-10(9)7-16-12-11-13(19-14(15)18-12)20(2)8-17-11;1-20-7-17-10-11(18-13(15)19-12(10)20)16-6-8-2-4-9(14)5-3-8/h6-10,13-14,16,27H,5,11-12H2,1-4H3,(H,21,23,24);4-10,14,24H,3,11-12H2,1-2H3,(H2,19,20,21,22);2-3,9-12,14H,4-8H2,1H3,(H,19,20,21);3-5,7H,6H2,1-2H3,(H,17,19,20);3-6,8H,7H2,1-2H3,(H,16,18,19);3-6,8H,7H2,1-2H3,(H,16,18,19);2-5,7H,6H2,1H3,(H,16,18,19)/t16-;14-;;;;;/m11...../s1
InChIKeyVWDIPJGHSYKOPY-ZWLAKYHBSA-N
XLogP18.70
TPSA428.59 Ų
H-Bond Donors10
H-Bond Acceptors38
Rotatable Bonds30
Heavy Atoms155
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002117.43
LogP ≤ 518.70
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1038

Analyze N-(2-adamantyl)-2-fluoro-7-methylpyrrolo[2,3-d]pyrimidin-4-amine;(2R)-2-[[4-(benzylamino)-7-methylpyrrolo[2,3-d]pyrimidin-2-yl]amino]butan-1-ol;(2R)-2-[[6-(benzylamino)-9-propan-2-ylpurin-2-yl]-methylamino]butan-1-ol;2-fluoro-N-[(2-fluoro-6-methylphenyl)methyl]-9-methylpurin-6-amine;2-fluoro-N-[(4-fluorophenyl)methyl]-9-methylpurin-6-amine;2-fluoro-N-[(2-methoxyphenyl)methyl]-9-methylpurin-6-amine;2-fluoro-9-methyl-N-[(2-methylphenyl)methyl]purin-6-amine with MolForge

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Related Compounds

N-(3-fluoro-4-methoxyphenyl)-3-[[11-[(5-fluoro-3-pyridinyl)amino]-3-[[11-[(6-fluoro-2-pyridinyl)amino]-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]methyl]-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]methyl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine
CID 123428579
3-[8-[5-[2-[[9-Cyclopentyl-8-(2,5-difluoroanilino)purin-2-yl]amino]-5-methoxyphenyl]-2-fluoroanilino]-2-(4-methoxyanilino)purin-9-yl]propan-1-ol
CID 123431786
6-[2-Amino-5-[(2-fluorophenyl)methyl]-4-(1-hydroxyhexan-3-ylamino)pyrrolo[3,2-d]pyrimidin-6-yl]-3-[[2-amino-5-[(2-methoxyphenyl)methyl]pyrrolo[3,2-d]pyrimidin-4-yl]amino]hexan-1-ol
CID 123910621
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
(3S)-6-[2-amino-5-[(2-fluorophenyl)methyl]-4-[[(3S)-1-hydroxyhexan-3-yl]amino]pyrrolo[3,2-d]pyrimidin-6-yl]-3-[[2-amino-5-[(2-methoxyphenyl)methyl]pyrrolo[3,2-d]pyrimidin-4-yl]amino]hexan-1-ol
CID 144603484
N-[4-(difluoromethoxy)phenyl]-6-(2-ethylpyrazolo[1,5-a]pyridin-3-yl)pyrazin-2-amine;2-N-(4-methoxyphenyl)-6-(2-methylbenzimidazol-1-yl)pyridine-2,3-diamine;5-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]-2-(trifluoromethyl)benzonitrile;[5-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]-2-(trifluoromethyl)phenyl]methanol;6-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine
CID 157096462
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-[5-(1-cyclobutylpyrazol-4-yl)-2-(1-phenoxypropan-2-ylamino)pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;4-[5-(1-cyclobutylpyrazol-4-yl)-2-[[(2R)-1,1,1-trifluoropropan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[2-(1-methyl-5,7-dihydro-4H-pyrrolo[2,3-c]pyridin-6-yl)-4-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol
CID 157116905
8-(Dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1-[(2-methoxyphenyl)methyl]-3-(2-methylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(2-methylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(2-morpholin-4-ylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyridine-2-carbonitrile;8-(dimethylamino)-8-phenyl-3-[6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one;1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;2-[1-(3-methoxypropyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-5-carbonitrile
CID 157121317
N-[4-(difluoromethoxy)-3-fluorophenyl]-6-(1-ethyl-3,5-dimethylpyrazol-4-yl)pyrazin-2-amine;2-[6-fluoro-2-(hydroxymethyl)imidazo[1,2-a]pyridin-3-yl]-6-[4-(trifluoromethyl)anilino]pyridine-4-carbonitrile;2-(6-hydroxy-2-methylimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carbonitrile;2-(6-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethoxy)anilino]pyridine-4-carbonitrile;6-quinolin-4-yl-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine
CID 157128795
4-N-[4-(difluoromethoxy)-3-fluorophenyl]-5-fluoro-2-(4-fluoro-2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)phenyl]-5-fluoro-2-(4-fluoro-2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;5-fluoro-2-(4-fluoro-2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;5-fluoro-2-(2-methylimidazo[4,5-b]pyridin-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 157197643

Frequently Asked Questions

What is the IUPAC name of N-(2-adamantyl)-2-fluoro-7-methylpyrrolo[2,3-d]pyrimidin-4-amine;(2R)-2-[[4-(benzylamino)-7-methylpyrrolo[2,3-d]pyrimidin-2-yl]amino]butan-1-ol;(2R)-2-[[6-(benzylamino)-9-propan-2-ylpurin-2-yl]-methylamino]butan-1-ol;2-fluoro-N-[(2-fluoro-6-methylphenyl)methyl]-9-methylpurin-6-amine;2-fluoro-N-[(4-fluorophenyl)methyl]-9-methylpurin-6-amine;2-fluoro-N-[(2-methoxyphenyl)methyl]-9-methylpurin-6-amine;2-fluoro-9-methyl-N-[(2-methylphenyl)methyl]purin-6-amine?
The IUPAC name of N-(2-adamantyl)-2-fluoro-7-methylpyrrolo[2,3-d]pyrimidin-4-amine;(2R)-2-[[4-(benzylamino)-7-methylpyrrolo[2,3-d]pyrimidin-2-yl]amino]butan-1-ol;(2R)-2-[[6-(benzylamino)-9-propan-2-ylpurin-2-yl]-methylamino]butan-1-ol;2-fluoro-N-[(2-fluoro-6-methylphenyl)methyl]-9-methylpurin-6-amine;2-fluoro-N-[(4-fluorophenyl)methyl]-9-methylpurin-6-amine;2-fluoro-N-[(2-methoxyphenyl)methyl]-9-methylpurin-6-amine;2-fluoro-9-methyl-N-[(2-methylphenyl)methyl]purin-6-amine (CID 161416425) is N-(2-adamantyl)-2-fluoro-7-methylpyrrolo[2,3-d]pyrimidin-4-amine;(2R)-2-[[4-(benzylamino)-7-methylpyrrolo[2,3-d]pyrimidin-2-yl]amino]butan-1-ol;(2R)-2-[[6-(benzylamino)-9-propan-2-ylpurin-2-yl]-methylamino]butan-1-ol;2-fluoro-N-[(2-fluoro-6-methylphenyl)methyl]-9-methylpurin-6-amine;2-fluoro-N-[(4-fluorophenyl)methyl]-9-methylpurin-6-amine;2-fluoro-N-[(2-methoxyphenyl)methyl]-9-methylpurin-6-amine;2-fluoro-9-methyl-N-[(2-methylphenyl)methyl]purin-6-amine.
What is the SMILES notation for N-(2-adamantyl)-2-fluoro-7-methylpyrrolo[2,3-d]pyrimidin-4-amine;(2R)-2-[[4-(benzylamino)-7-methylpyrrolo[2,3-d]pyrimidin-2-yl]amino]butan-1-ol;(2R)-2-[[6-(benzylamino)-9-propan-2-ylpurin-2-yl]-methylamino]butan-1-ol;2-fluoro-N-[(2-fluoro-6-methylphenyl)methyl]-9-methylpurin-6-amine;2-fluoro-N-[(4-fluorophenyl)methyl]-9-methylpurin-6-amine;2-fluoro-N-[(2-methoxyphenyl)methyl]-9-methylpurin-6-amine;2-fluoro-9-methyl-N-[(2-methylphenyl)methyl]purin-6-amine?
The canonical SMILES for N-(2-adamantyl)-2-fluoro-7-methylpyrrolo[2,3-d]pyrimidin-4-amine;(2R)-2-[[4-(benzylamino)-7-methylpyrrolo[2,3-d]pyrimidin-2-yl]amino]butan-1-ol;(2R)-2-[[6-(benzylamino)-9-propan-2-ylpurin-2-yl]-methylamino]butan-1-ol;2-fluoro-N-[(2-fluoro-6-methylphenyl)methyl]-9-methylpurin-6-amine;2-fluoro-N-[(4-fluorophenyl)methyl]-9-methylpurin-6-amine;2-fluoro-N-[(2-methoxyphenyl)methyl]-9-methylpurin-6-amine;2-fluoro-9-methyl-N-[(2-methylphenyl)methyl]purin-6-amine is CC[C@H](CO)N(C)c1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1.CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ccn(C)c2n1.COc1ccccc1CNc1nc(F)nc2c1ncn2C.Cc1cccc(F)c1CNc1nc(F)nc2c1ncn2C.Cc1ccccc1CNc1nc(F)nc2c1ncn2C.Cn1ccc2c(NC3C4CC5CC(C4)CC3C5)nc(F)nc21.Cn1cnc2c(NCc3ccc(F)cc3)nc(F)nc21.
What is the InChIKey of N-(2-adamantyl)-2-fluoro-7-methylpyrrolo[2,3-d]pyrimidin-4-amine;(2R)-2-[[4-(benzylamino)-7-methylpyrrolo[2,3-d]pyrimidin-2-yl]amino]butan-1-ol;(2R)-2-[[6-(benzylamino)-9-propan-2-ylpurin-2-yl]-methylamino]butan-1-ol;2-fluoro-N-[(2-fluoro-6-methylphenyl)methyl]-9-methylpurin-6-amine;2-fluoro-N-[(4-fluorophenyl)methyl]-9-methylpurin-6-amine;2-fluoro-N-[(2-methoxyphenyl)methyl]-9-methylpurin-6-amine;2-fluoro-9-methyl-N-[(2-methylphenyl)methyl]purin-6-amine?
The InChIKey is VWDIPJGHSYKOPY-ZWLAKYHBSA-N. The full InChI is InChI=1S/C20H28N6O.C18H23N5O.C17H21FN4.C14H13F2N5.C14H14FN5O.C14H14FN5.C13H11F2N5/c1-5-16(12-27)25(4)20-23-18(21-11-15-9-7-6-8-10-15)17-19(24-20)26(13-22-17)14(2)3;1-3-14(12-24)20-18-21-16(15-9-10-23(2)17(15)22-18)19-11-13-7-5-4-6-8-13;1-22-3-2-13-15(20-17(18)21-16(13)22)19-14-11-5-9-4-10(7-11)8-12(14)6-9;1-8-4-3-5-10(15)9(8)6-17-12-11-13(20-14(16)19-12)21(2)7-18-11;1-20-8-17-11-12(18-14(15)19-13(11)20)16-7-9-5-3-4-6-10(9)21-2;1-9-5-3-4-6-10(9)7-16-12-11-13(19-14(15)18-12)20(2)8-17-11;1-20-7-17-10-11(18-13(15)19-12(10)20)16-6-8-2-4-9(14)5-3-8/h6-10,13-14,16,27H,5,11-12H2,1-4H3,(H,21,23,24);4-10,14,24H,3,11-12H2,1-2H3,(H2,19,20,21,22);2-3,9-12,14H,4-8H2,1H3,(H,19,20,21);3-5,7H,6H2,1-2H3,(H,17,19,20);3-6,8H,7H2,1-2H3,(H,16,18,19);3-6,8H,7H2,1-2H3,(H,16,18,19);2-5,7H,6H2,1H3,(H,16,18,19)/t16-;14-;;;;;/m11...../s1.
What are the key properties of N-(2-adamantyl)-2-fluoro-7-methylpyrrolo[2,3-d]pyrimidin-4-amine;(2R)-2-[[4-(benzylamino)-7-methylpyrrolo[2,3-d]pyrimidin-2-yl]amino]butan-1-ol;(2R)-2-[[6-(benzylamino)-9-propan-2-ylpurin-2-yl]-methylamino]butan-1-ol;2-fluoro-N-[(2-fluoro-6-methylphenyl)methyl]-9-methylpurin-6-amine;2-fluoro-N-[(4-fluorophenyl)methyl]-9-methylpurin-6-amine;2-fluoro-N-[(2-methoxyphenyl)methyl]-9-methylpurin-6-amine;2-fluoro-9-methyl-N-[(2-methylphenyl)methyl]purin-6-amine?
N-(2-adamantyl)-2-fluoro-7-methylpyrrolo[2,3-d]pyrimidin-4-amine;(2R)-2-[[4-(benzylamino)-7-methylpyrrolo[2,3-d]pyrimidin-2-yl]amino]butan-1-ol;(2R)-2-[[6-(benzylamino)-9-propan-2-ylpurin-2-yl]-methylamino]butan-1-ol;2-fluoro-N-[(2-fluoro-6-methylphenyl)methyl]-9-methylpurin-6-amine;2-fluoro-N-[(4-fluorophenyl)methyl]-9-methylpurin-6-amine;2-fluoro-N-[(2-methoxyphenyl)methyl]-9-methylpurin-6-amine;2-fluoro-9-methyl-N-[(2-methylphenyl)methyl]purin-6-amine has a molecular weight of 2117.43 g/mol, XLogP of 18.70, 30 rotatable bonds, 10 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantyl)-2-fluoro-7-methylpyrrolo[2,3-d]pyrimidin-4-amine;(2R)-2-[[4-(benzylamino)-7-methylpyrrolo[2,3-d]pyrimidin-2-yl]amino]butan-1-ol;(2R)-2-[[6-(benzylamino)-9-propan-2-ylpurin-2-yl]-methylamino]butan-1-ol;2-fluoro-N-[(2-fluoro-6-methylphenyl)methyl]-9-methylpurin-6-amine;2-fluoro-N-[(4-fluorophenyl)methyl]-9-methylpurin-6-amine;2-fluoro-N-[(2-methoxyphenyl)methyl]-9-methylpurin-6-amine;2-fluoro-9-methyl-N-[(2-methylphenyl)methyl]purin-6-amine is sourced from PubChem (CID 161416425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).