4-[1-[(6-tert-butyl-2-pyridinyl)methyl]triazol-4-yl]-6-(2-fluoro-3-methylphenyl)pyrimidin-2-amine;4-[1-[(6-tert-butyl-2-pyridinyl)methyl]triazol-4-yl]-N-(2-methoxyethyl)-6-(3-methylphenyl)pyrimidin-2-amine;4-[1-[(6-tert-butyl-2-pyridinyl)methyl]triazol-4-yl]-N-[(2S)-1-methoxypropan-2-yl]-6-(3-methylphenyl)pyrimidin-2-amine;4-[1-[(6-tert-butyl-2-pyridinyl)methyl]triazol-4-yl]-N-[(2R)-1-methoxypropan-2-yl]-6-(3-methylphenyl)pyrimidin-2-amine;pentakis(carbon dioxide);4-(3-methylphenyl)-N-[(3S)-oxolan-3-yl]-6-[1-[(6-propan-2-yl-2-pyridinyl)methyl]triazol-4-yl]pyrimidin-2-amine;(2R)-2-[[4-(3-methylphenyl)-6-[1-[[6-(trifluoromethyl)-2-pyridinyl]methyl]triazol-4-yl]pyrimidin-2-yl]amino]propanoic acid

C157H170F4N42O16 — CID 165045582

IUPAC4-[1-[(6-tert-butyl-2-pyridinyl)methyl]triazol-4-yl]-6-(2-fluoro-3-methylphenyl)pyrimidin-2-amine;4-[1-[(6-tert-butyl-2-pyridinyl)methyl]triazol-4-yl]-N-(2-methoxyethyl)-6-(3-methylphenyl)pyrimidin-2-amine;4-[1-[(6-tert-butyl-2-pyridinyl)methyl]triazol-4-yl]-N-[(2S)-1-methoxypropan-2-yl]-6-(3-methylphenyl)pyrimidin-2-amine;4-[1-[(6-tert-butyl-2-pyridinyl)methyl]triazol-4-yl]-N-[(2R)-1-methoxypropan-2-yl]-6-(3-methylphenyl)pyrimidin-2-amine;pentakis(carbon dioxide);4-(3-methylphenyl)-N-[(3S)-oxolan-3-yl]-6-[1-[(6-propan-2-yl-2-pyridinyl)methyl]triazol-4-yl]pyrimidin-2-amine;(2R)-2-[[4-(3-methylphenyl)-6-[1-[[6-(trifluoromethyl)-2-pyridinyl]methyl]triazol-4-yl]pyrimidin-2-yl]amino]propanoic acid
SMILESCOCCNc1nc(-c2cccc(C)c2)cc(-c2cn(Cc3cccc(C(C)(C)C)n3)nn2)n1.COC[C@@H](C)Nc1nc(-c2cccc(C)c2)cc(-c2cn(Cc3cccc(C(C)(C)C)n3)nn2)n1.COC[C@H](C)Nc1nc(-c2cccc(C)c2)cc(-c2cn(Cc3cccc(C(C)(C)C)n3)nn2)n1.Cc1cccc(-c2cc(-c3cn(Cc4cccc(C(C)(C)C)n4)nn3)nc(N)n2)c1F.Cc1cccc(-c2cc(-c3cn(Cc4cccc(C(C)C)n4)nn3)nc(N[C@H]3CCOC3)n2)c1.Cc1cccc(-c2cc(-c3cn(Cc4cccc(C(F)(F)F)n4)nn3)nc(N[C@H](C)C(=O)O)n2)c1.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O
InChIInChI=1S/2C27H33N7O.C26H29N7O.C26H31N7O.C23H20F3N7O2.C23H24FN7.5CO2/c2*1-18-9-7-10-20(13-18)22-14-23(31-26(30-22)28-19(2)17-35-6)24-16-34(33-32-24)15-21-11-8-12-25(29-21)27(3,4)5;1-17(2)22-9-5-8-20(27-22)14-33-15-25(31-32-33)24-13-23(19-7-4-6-18(3)12-19)29-26(30-24)28-21-10-11-34-16-21;1-18-8-6-9-19(14-18)21-15-22(30-25(29-21)27-12-13-34-5)23-17-33(32-31-23)16-20-10-7-11-24(28-20)26(2,3)4;1-13-5-3-6-15(9-13)17-10-18(30-22(29-17)27-14(2)21(34)35)19-12-33(32-31-19)11-16-7-4-8-20(28-16)23(24,25)26;1-14-7-5-9-16(21(14)24)17-11-18(28-22(25)27-17)19-13-31(30-29-19)12-15-8-6-10-20(26-15)23(2,3)4;5*2-1-3/h2*7-14,16,19H,15,17H2,1-6H3,(H,28,30,31);4-9,12-13,15,17,21H,10-11,14,16H2,1-3H3,(H,28,29,30);6-11,14-15,17H,12-13,16H2,1-5H3,(H,27,29,30);3-10,12,14H,11H2,1-2H3,(H,34,35)(H,27,29,30);5-11,13H,12H2,1-4H3,(H2,25,27,28);;;;;/t2*19-;21-;;14-;;;;;;/m100.1....../s1
InChIKeyOVOKAZUWCOMNEY-DIYGLBOVSA-N
MW2977.36 g/mol
LogP24.10
Rot. Bonds42

About 4-[1-[(6-tert-butyl-2-pyridinyl)methyl]triazol-4-yl]-6-(2-fluoro-3-methylphenyl)pyrimidin-2-amine;4-[1-[(6-tert-butyl-2-pyridinyl)methyl]triazol-4-yl]-N-(2-methoxyethyl)-6-(3-methylphenyl)pyrimidin-2-amine;4-[1-[(6-tert-butyl-2-pyridinyl)methyl]triazol-4-yl]-N-[(2S)-1-methoxypropan-2-yl]-6-(3-methylphenyl)pyrimidin-2-amine;4-[1-[(6-tert-butyl-2-pyridinyl)methyl]triazol-4-yl]-N-[(2R)-1-methoxypropan-2-yl]-6-(3-methylphenyl)pyrimidin-2-amine;pentakis(carbon dioxide);4-(3-methylphenyl)-N-[(3S)-oxolan-3-yl]-6-[1-[(6-propan-2-yl-2-pyridinyl)methyl]triazol-4-yl]pyrimidin-2-amine;(2R)-2-[[4-(3-methylphenyl)-6-[1-[[6-(trifluoromethyl)-2-pyridinyl]methyl]triazol-4-yl]pyrimidin-2-yl]amino]propanoic acid

4-[1-[(6-tert-butyl-2-pyridinyl)methyl]triazol-4-yl]-6-(2-fluoro-3-methylphenyl)pyrimidin-2-amine;4-[1-[(6-tert-butyl-2-pyridinyl)methyl]triazol-4-yl]-N-(2-methoxyethyl)-6-(3-methylphenyl)pyrimidin-2-amine;4-[1-[(6-tert-butyl-2-pyridinyl)methyl]triazol-4-yl]-N-[(2S)-1-methoxypropan-2-yl]-6-(3-methylphenyl)pyrimidin-2-amine;4-[1-[(6-tert-butyl-2-pyridinyl)methyl]triazol-4-yl]-N-[(2R)-1-methoxypropan-2-yl]-6-(3-methylphenyl)pyrimidin-2-amine;pentakis(carbon dioxide);4-(3-methylphenyl)-N-[(3S)-oxolan-3-yl]-6-[1-[(6-propan-2-yl-2-pyridinyl)methyl]triazol-4-yl]pyrimidin-2-amine;(2R)-2-[[4-(3-methylphenyl)-6-[1-[[6-(trifluoromethyl)-2-pyridinyl]methyl]triazol-4-yl]pyrimidin-2-yl]amino]propanoic acid (PubChem CID 165045582) has the molecular formula C157H170F4N42O16 and a molecular weight of 2977.36 g/mol. Its IUPAC name is 4-[1-[(6-tert-butyl-2-pyridinyl)methyl]triazol-4-yl]-6-(2-fluoro-3-methylphenyl)pyrimidin-2-amine;4-[1-[(6-tert-butyl-2-pyridinyl)methyl]triazol-4-yl]-N-(2-methoxyethyl)-6-(3-methylphenyl)pyrimidin-2-amine;4-[1-[(6-tert-butyl-2-pyridinyl)methyl]triazol-4-yl]-N-[(2S)-1-methoxypropan-2-yl]-6-(3-methylphenyl)pyrimidin-2-amine;4-[1-[(6-tert-butyl-2-pyridinyl)methyl]triazol-4-yl]-N-[(2R)-1-methoxypropan-2-yl]-6-(3-methylphenyl)pyrimidin-2-amine;pentakis(carbon dioxide);4-(3-methylphenyl)-N-[(3S)-oxolan-3-yl]-6-[1-[(6-propan-2-yl-2-pyridinyl)methyl]triazol-4-yl]pyrimidin-2-amine;(2R)-2-[[4-(3-methylphenyl)-6-[1-[[6-(trifluoromethyl)-2-pyridinyl]methyl]triazol-4-yl]pyrimidin-2-yl]amino]propanoic acid.

Molecular Properties

Compound Name4-[1-[(6-tert-butyl-2-pyridinyl)methyl]triazol-4-yl]-6-(2-fluoro-3-methylphenyl)pyrimidin-2-amine;4-[1-[(6-tert-butyl-2-pyridinyl)methyl]triazol-4-yl]-N-(2-methoxyethyl)-6-(3-methylphenyl)pyrimidin-2-amine;4-[1-[(6-tert-butyl-2-pyridinyl)methyl]triazol-4-yl]-N-[(2S)-1-methoxypropan-2-yl]-6-(3-methylphenyl)pyrimidin-2-amine;4-[1-[(6-tert-butyl-2-pyridinyl)methyl]triazol-4-yl]-N-[(2R)-1-methoxypropan-2-yl]-6-(3-methylphenyl)pyrimidin-2-amine;pentakis(carbon dioxide);4-(3-methylphenyl)-N-[(3S)-oxolan-3-yl]-6-[1-[(6-propan-2-yl-2-pyridinyl)methyl]triazol-4-yl]pyrimidin-2-amine;(2R)-2-[[4-(3-methylphenyl)-6-[1-[[6-(trifluoromethyl)-2-pyridinyl]methyl]triazol-4-yl]pyrimidin-2-yl]amino]propanoic acid
PubChem CID165045582
Molecular FormulaC157H170F4N42O16
Molecular Weight2977.36 g/mol
Exact Mass2975.37
IUPAC Name4-[1-[(6-tert-butyl-2-pyridinyl)methyl]triazol-4-yl]-6-(2-fluoro-3-methylphenyl)pyrimidin-2-amine;4-[1-[(6-tert-butyl-2-pyridinyl)methyl]triazol-4-yl]-N-(2-methoxyethyl)-6-(3-methylphenyl)pyrimidin-2-amine;4-[1-[(6-tert-butyl-2-pyridinyl)methyl]triazol-4-yl]-N-[(2S)-1-methoxypropan-2-yl]-6-(3-methylphenyl)pyrimidin-2-amine;4-[1-[(6-tert-butyl-2-pyridinyl)methyl]triazol-4-yl]-N-[(2R)-1-methoxypropan-2-yl]-6-(3-methylphenyl)pyrimidin-2-amine;pentakis(carbon dioxide);4-(3-methylphenyl)-N-[(3S)-oxolan-3-yl]-6-[1-[(6-propan-2-yl-2-pyridinyl)methyl]triazol-4-yl]pyrimidin-2-amine;(2R)-2-[[4-(3-methylphenyl)-6-[1-[[6-(trifluoromethyl)-2-pyridinyl]methyl]triazol-4-yl]pyrimidin-2-yl]amino]propanoic acid
SMILESCOCCNc1nc(-c2cccc(C)c2)cc(-c2cn(Cc3cccc(C(C)(C)C)n3)nn2)n1.COC[C@@H](C)Nc1nc(-c2cccc(C)c2)cc(-c2cn(Cc3cccc(C(C)(C)C)n3)nn2)n1.COC[C@H](C)Nc1nc(-c2cccc(C)c2)cc(-c2cn(Cc3cccc(C(C)(C)C)n3)nn2)n1.Cc1cccc(-c2cc(-c3cn(Cc4cccc(C(C)(C)C)n4)nn3)nc(N)n2)c1F.Cc1cccc(-c2cc(-c3cn(Cc4cccc(C(C)C)n4)nn3)nc(N[C@H]3CCOC3)n2)c1.Cc1cccc(-c2cc(-c3cn(Cc4cccc(C(F)(F)F)n4)nn3)nc(N[C@H](C)C(=O)O)n2)c1.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O
InChIInChI=1S/2C27H33N7O.C26H29N7O.C26H31N7O.C23H20F3N7O2.C23H24FN7.5CO2/c2*1-18-9-7-10-20(13-18)22-14-23(31-26(30-22)28-19(2)17-35-6)24-16-34(33-32-24)15-21-11-8-12-25(29-21)27(3,4)5;1-17(2)22-9-5-8-20(27-22)14-33-15-25(31-32-33)24-13-23(19-7-4-6-18(3)12-19)29-26(30-24)28-21-10-11-34-16-21;1-18-8-6-9-19(14-18)21-15-22(30-25(29-21)27-12-13-34-5)23-17-33(32-31-23)16-20-10-7-11-24(28-20)26(2,3)4;1-13-5-3-6-15(9-13)17-10-18(30-22(29-17)27-14(2)21(34)35)19-12-33(32-31-19)11-16-7-4-8-20(28-16)23(24,25)26;1-14-7-5-9-16(21(14)24)17-11-18(28-22(25)27-17)19-13-31(30-29-19)12-15-8-6-10-20(26-15)23(2,3)4;5*2-1-3/h2*7-14,16,19H,15,17H2,1-6H3,(H,28,30,31);4-9,12-13,15,17,21H,10-11,14,16H2,1-3H3,(H,28,29,30);6-11,14-15,17H,12-13,16H2,1-5H3,(H,27,29,30);3-10,12,14H,11H2,1-2H3,(H,34,35)(H,27,29,30);5-11,13H,12H2,1-4H3,(H2,25,27,28);;;;;/t2*19-;21-;;14-;;;;;;/m100.1....../s1
InChIKeyOVOKAZUWCOMNEY-DIYGLBOVSA-N
XLogP24.10
TPSA747.37 Ų
H-Bond Donors7
H-Bond Acceptors57
Rotatable Bonds42
Heavy Atoms219
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002977.36
LogP ≤ 524.10
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1057

Computed Properties (RDKit)

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

Analyze 4-[1-[(6-tert-butyl-2-pyridinyl)methyl]triazol-4-yl]-6-(2-fluoro-3-methylphenyl)pyrimidin-2-amine;4-[1-[(6-tert-butyl-2-pyridinyl)methyl]triazol-4-yl]-N-(2-methoxyethyl)-6-(3-methylphenyl)pyrimidin-2-amine;4-[1-[(6-tert-butyl-2-pyridinyl)methyl]triazol-4-yl]-N-[(2S)-1-methoxypropan-2-yl]-6-(3-methylphenyl)pyrimidin-2-amine;4-[1-[(6-tert-butyl-2-pyridinyl)methyl]triazol-4-yl]-N-[(2R)-1-methoxypropan-2-yl]-6-(3-methylphenyl)pyrimidin-2-amine;pentakis(carbon dioxide);4-(3-methylphenyl)-N-[(3S)-oxolan-3-yl]-6-[1-[(6-propan-2-yl-2-pyridinyl)methyl]triazol-4-yl]pyrimidin-2-amine;(2R)-2-[[4-(3-methylphenyl)-6-[1-[[6-(trifluoromethyl)-2-pyridinyl]methyl]triazol-4-yl]pyrimidin-2-yl]amino]propanoic acid with MolForge

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Launch Full Analysis

Related Compounds

N-[(4,4-difluorocyclohexyl)methyl]-5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-amine;2-methyl-4-[[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]butan-2-ol;5-(1-methylpyrazol-3-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-(oxan-4-yl)pyrimidin-4-amine;5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-(oxan-4-yl)pyrimidin-4-amine
CID 157955004
(4R,6R)-6-[2-[4-(2-anilinopyrimidin-4-yl)-2-tert-butyl-5-[3-(trifluoromethyl)phenyl]imidazol-1-yl]ethyl]-4-hydroxyoxan-2-one;(3R,5R)-7-[2-tert-butyl-5-(4-fluorophenyl)-4-[2-(methylamino)pyrimidin-4-yl]imidazol-1-yl]-3,5-dihydroxyheptanoic acid;(4R,6R)-6-[2-[2-tert-butyl-5-(4-fluorophenyl)-4-[2-(methylamino)pyrimidin-4-yl]imidazol-1-yl]ethyl]-4-hydroxyoxan-2-one;(3R,5R)-7-[2-tert-butyl-5-(4-fluorophenyl)-4-pyridin-4-ylimidazol-1-yl]-3,5-dihydroxyheptanoic acid;(4R,6R)-6-[2-[2-tert-butyl-5-(4-fluorophenyl)-4-pyridin-4-ylimidazol-1-yl]ethyl]-4-hydroxyoxan-2-one
CID 159515114
N-[4-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]-4-(3-fluoro-5-morpholin-4-ylphenyl)pyrimidin-2-amine;N-[4-[3-(4-ethylpiperazin-1-yl)-1,2,4-triazol-1-yl]phenyl]-4-(3-fluoro-5-morpholin-4-ylphenyl)pyrimidin-2-amine;N-[4-[3-(4-ethylpiperazin-1-yl)-1,2,4-triazol-1-yl]phenyl]-4-(3-morpholin-4-ylphenyl)pyrimidin-2-amine;N-[4-[3-(4-ethylpiperazin-1-yl)-1,2,4-triazol-1-yl]phenyl]-4-[3-morpholin-4-yl-5-(trifluoromethyl)phenyl]pyrimidin-2-amine;4-(3-fluoro-5-morpholin-4-ylphenyl)-N-[4-[3-(4-methyl-2-pyridinyl)-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine
CID 159795356
CID 160658871
CID 160658871
4-[2-(3-aminopropyl)-3-methyl-5-[3-(trifluoromethyl)phenyl]imidazol-4-yl]-N-(1-phenylethyl)pyridin-2-amine;4-[2-[2-(dimethylamino)ethyl]-3-methyl-5-[3-(trifluoromethyl)phenyl]imidazol-4-yl]-N-(1-phenylethyl)pyridin-2-amine;4-[2-[3-(dimethylamino)propyl]-3-methyl-5-[3-(trifluoromethyl)phenyl]imidazol-4-yl]-N-(1-phenylethyl)pyridin-2-amine;4-[3-methyl-2-[3-(methylamino)propyl]-5-[3-(trifluoromethyl)phenyl]imidazol-4-yl]-N-(1-phenylethyl)pyridin-2-amine;4-[3-methyl-2-(morpholin-4-ylmethyl)-5-[3-(trifluoromethyl)phenyl]imidazol-4-yl]-N-(1-phenylethyl)pyridin-2-amine
CID 161573385
CID 162042507
CID 162042507
4-[1-[[6-(azetidin-1-yl)-2-pyridinyl]methyl]triazol-4-yl]-6-(3-methylphenyl)-N-[(3R)-oxolan-3-yl]pyrimidin-2-amine;4-[1-[(6-tert-butyl-2-pyridinyl)methyl]triazol-4-yl]-6-(3-methylphenyl)-N-propan-2-ylpyrimidin-2-amine;tris(carbon dioxide);2-[[4-[1-[(6-cyclopropyl-2-pyridinyl)methyl]triazol-4-yl]-6-(3-methylphenyl)pyrimidin-2-yl]amino]acetic acid;4-(3-methylphenyl)-N-[(3R)-oxolan-3-yl]-6-[1-[(6-propan-2-yl-2-pyridinyl)methyl]triazol-4-yl]pyrimidin-2-amine;2-[[4-(3-methylphenyl)-6-[1-[(6-propan-2-yl-2-pyridinyl)methyl]triazol-4-yl]pyrimidin-2-yl]amino]acetic acid;2-[[4-(3-methylphenyl)-6-[1-[[6-(trifluoromethyl)-2-pyridinyl]methyl]triazol-4-yl]pyrimidin-2-yl]amino]acetic acid
CID 164950947
CID 165037537
CID 165037537
4-[1-[[6-[(1S)-1-(azetidin-1-yl)ethyl]-2-pyridinyl]methyl]triazol-4-yl]-6-(3-methylphenyl)pyrimidin-2-amine;4-[1-[[6-(azetidin-1-yl)-2-pyridinyl]methyl]triazol-4-yl]-N-cyclopropyl-6-(3-methylphenyl)pyrimidin-2-amine;4-[1-[[6-(azetidin-1-yl)-2-pyridinyl]methyl]triazol-4-yl]-6-(3-methylphenyl)-N-[(3S)-oxolan-3-yl]pyrimidin-2-amine;tetrakis(carbon dioxide);(2R)-1-[6-[[4-[6-(3-methylphenyl)-2-[[(3S)-oxolan-3-yl]amino]pyrimidin-4-yl]triazol-1-yl]methyl]-2-pyridinyl]pyrrolidine-2-carboxylic acid;4-(3-methylphenyl)-6-[1-[[6-[(1S)-1-piperidin-1-ylethyl]-2-pyridinyl]methyl]triazol-4-yl]pyrimidin-2-amine;(2S)-2-[[4-(3-methylphenyl)-6-[1-[[6-(trifluoromethyl)-2-pyridinyl]methyl]triazol-4-yl]pyrimidin-2-yl]amino]propanoic acid
CID 165091500
5-fluoro-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-(5-methyl-3-pyridinyl)pyrimidin-2-amine;5-fluoro-2-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine;5-fluoro-4-morpholin-4-yl-N-[(E)-[4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]pyrimidin-2-amine;2-[[5-fluoro-2-[(2E)-2-[[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylidene]hydrazinyl]pyrimidin-4-yl]amino]acetic acid;6-methyl-2-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine;4-methyl-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-6-pyridin-3-ylpyrimidin-2-amine
CID 172939014
5-fluoro-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-(5-methyl-3-pyridinyl)pyrimidin-2-amine;5-fluoro-2-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine;N-[4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]phenyl]-3-(trifluoromethyl)aniline;2-[[5-fluoro-2-[[[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]methyl]pyrimidin-4-yl]amino]acetic acid;6-methyl-2-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine;4-methyl-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-6-pyridin-3-ylpyrimidin-2-amine
CID 172963882
N-tert-butylbutan-1-amine;N-tert-butyl-N',N'-dimethylethane-1,2-diamine;5-tert-butyl-1,2-dimethylimidazole;N-tert-butyl-2,2-dimethylpropan-1-amine;N-tert-butyl-N',N'-dimethylpropane-1,3-diamine;N'-tert-butylethane-1,2-diamine;1-tert-butyl-4-fluorobenzene;1-tert-butylimidazole;3-tert-butyl-2-methylidene-1,3-oxazolidine;1-tert-butyl-4-methylpiperazine;N-tert-butyl-1-methylpiperidin-4-amine;4-tert-butylmorpholine;1-tert-butylpiperazine;1-tert-butylpiperidine;1-tert-butylpyrazole;bis(2-tert-butylpyridine);3-tert-butylpyridine;1-tert-butylpyrrolidine;N-(cyclopropylmethyl)-2-methylpropan-2-amine;N-(2,2-difluoroethyl)-2-methylpropan-2-amine;N,2-dimethylpropan-2-amine;2-methyl-N-propan-2-ylpropan-2-amine;2-methyl-N-(pyridin-3-ylmethyl)propan-2-amine;N,N,2-trimethylpropan-2-amine
CID 157712039

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(6-tert-butyl-2-pyridinyl)methyl]triazol-4-yl]-6-(2-fluoro-3-methylphenyl)pyrimidin-2-amine;4-[1-[(6-tert-butyl-2-pyridinyl)methyl]triazol-4-yl]-N-(2-methoxyethyl)-6-(3-methylphenyl)pyrimidin-2-amine;4-[1-[(6-tert-butyl-2-pyridinyl)methyl]triazol-4-yl]-N-[(2S)-1-methoxypropan-2-yl]-6-(3-methylphenyl)pyrimidin-2-amine;4-[1-[(6-tert-butyl-2-pyridinyl)methyl]triazol-4-yl]-N-[(2R)-1-methoxypropan-2-yl]-6-(3-methylphenyl)pyrimidin-2-amine;pentakis(carbon dioxide);4-(3-methylphenyl)-N-[(3S)-oxolan-3-yl]-6-[1-[(6-propan-2-yl-2-pyridinyl)methyl]triazol-4-yl]pyrimidin-2-amine;(2R)-2-[[4-(3-methylphenyl)-6-[1-[[6-(trifluoromethyl)-2-pyridinyl]methyl]triazol-4-yl]pyrimidin-2-yl]amino]propanoic acid?
The IUPAC name of 4-[1-[(6-tert-butyl-2-pyridinyl)methyl]triazol-4-yl]-6-(2-fluoro-3-methylphenyl)pyrimidin-2-amine;4-[1-[(6-tert-butyl-2-pyridinyl)methyl]triazol-4-yl]-N-(2-methoxyethyl)-6-(3-methylphenyl)pyrimidin-2-amine;4-[1-[(6-tert-butyl-2-pyridinyl)methyl]triazol-4-yl]-N-[(2S)-1-methoxypropan-2-yl]-6-(3-methylphenyl)pyrimidin-2-amine;4-[1-[(6-tert-butyl-2-pyridinyl)methyl]triazol-4-yl]-N-[(2R)-1-methoxypropan-2-yl]-6-(3-methylphenyl)pyrimidin-2-amine;pentakis(carbon dioxide);4-(3-methylphenyl)-N-[(3S)-oxolan-3-yl]-6-[1-[(6-propan-2-yl-2-pyridinyl)methyl]triazol-4-yl]pyrimidin-2-amine;(2R)-2-[[4-(3-methylphenyl)-6-[1-[[6-(trifluoromethyl)-2-pyridinyl]methyl]triazol-4-yl]pyrimidin-2-yl]amino]propanoic acid (CID 165045582) is 4-[1-[(6-tert-butyl-2-pyridinyl)methyl]triazol-4-yl]-6-(2-fluoro-3-methylphenyl)pyrimidin-2-amine;4-[1-[(6-tert-butyl-2-pyridinyl)methyl]triazol-4-yl]-N-(2-methoxyethyl)-6-(3-methylphenyl)pyrimidin-2-amine;4-[1-[(6-tert-butyl-2-pyridinyl)methyl]triazol-4-yl]-N-[(2S)-1-methoxypropan-2-yl]-6-(3-methylphenyl)pyrimidin-2-amine;4-[1-[(6-tert-butyl-2-pyridinyl)methyl]triazol-4-yl]-N-[(2R)-1-methoxypropan-2-yl]-6-(3-methylphenyl)pyrimidin-2-amine;pentakis(carbon dioxide);4-(3-methylphenyl)-N-[(3S)-oxolan-3-yl]-6-[1-[(6-propan-2-yl-2-pyridinyl)methyl]triazol-4-yl]pyrimidin-2-amine;(2R)-2-[[4-(3-methylphenyl)-6-[1-[[6-(trifluoromethyl)-2-pyridinyl]methyl]triazol-4-yl]pyrimidin-2-yl]amino]propanoic acid.
What is the SMILES notation for 4-[1-[(6-tert-butyl-2-pyridinyl)methyl]triazol-4-yl]-6-(2-fluoro-3-methylphenyl)pyrimidin-2-amine;4-[1-[(6-tert-butyl-2-pyridinyl)methyl]triazol-4-yl]-N-(2-methoxyethyl)-6-(3-methylphenyl)pyrimidin-2-amine;4-[1-[(6-tert-butyl-2-pyridinyl)methyl]triazol-4-yl]-N-[(2S)-1-methoxypropan-2-yl]-6-(3-methylphenyl)pyrimidin-2-amine;4-[1-[(6-tert-butyl-2-pyridinyl)methyl]triazol-4-yl]-N-[(2R)-1-methoxypropan-2-yl]-6-(3-methylphenyl)pyrimidin-2-amine;pentakis(carbon dioxide);4-(3-methylphenyl)-N-[(3S)-oxolan-3-yl]-6-[1-[(6-propan-2-yl-2-pyridinyl)methyl]triazol-4-yl]pyrimidin-2-amine;(2R)-2-[[4-(3-methylphenyl)-6-[1-[[6-(trifluoromethyl)-2-pyridinyl]methyl]triazol-4-yl]pyrimidin-2-yl]amino]propanoic acid?
The canonical SMILES for 4-[1-[(6-tert-butyl-2-pyridinyl)methyl]triazol-4-yl]-6-(2-fluoro-3-methylphenyl)pyrimidin-2-amine;4-[1-[(6-tert-butyl-2-pyridinyl)methyl]triazol-4-yl]-N-(2-methoxyethyl)-6-(3-methylphenyl)pyrimidin-2-amine;4-[1-[(6-tert-butyl-2-pyridinyl)methyl]triazol-4-yl]-N-[(2S)-1-methoxypropan-2-yl]-6-(3-methylphenyl)pyrimidin-2-amine;4-[1-[(6-tert-butyl-2-pyridinyl)methyl]triazol-4-yl]-N-[(2R)-1-methoxypropan-2-yl]-6-(3-methylphenyl)pyrimidin-2-amine;pentakis(carbon dioxide);4-(3-methylphenyl)-N-[(3S)-oxolan-3-yl]-6-[1-[(6-propan-2-yl-2-pyridinyl)methyl]triazol-4-yl]pyrimidin-2-amine;(2R)-2-[[4-(3-methylphenyl)-6-[1-[[6-(trifluoromethyl)-2-pyridinyl]methyl]triazol-4-yl]pyrimidin-2-yl]amino]propanoic acid is COCCNc1nc(-c2cccc(C)c2)cc(-c2cn(Cc3cccc(C(C)(C)C)n3)nn2)n1.COC[C@@H](C)Nc1nc(-c2cccc(C)c2)cc(-c2cn(Cc3cccc(C(C)(C)C)n3)nn2)n1.COC[C@H](C)Nc1nc(-c2cccc(C)c2)cc(-c2cn(Cc3cccc(C(C)(C)C)n3)nn2)n1.Cc1cccc(-c2cc(-c3cn(Cc4cccc(C(C)(C)C)n4)nn3)nc(N)n2)c1F.Cc1cccc(-c2cc(-c3cn(Cc4cccc(C(C)C)n4)nn3)nc(N[C@H]3CCOC3)n2)c1.Cc1cccc(-c2cc(-c3cn(Cc4cccc(C(F)(F)F)n4)nn3)nc(N[C@H](C)C(=O)O)n2)c1.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.
What is the InChIKey of 4-[1-[(6-tert-butyl-2-pyridinyl)methyl]triazol-4-yl]-6-(2-fluoro-3-methylphenyl)pyrimidin-2-amine;4-[1-[(6-tert-butyl-2-pyridinyl)methyl]triazol-4-yl]-N-(2-methoxyethyl)-6-(3-methylphenyl)pyrimidin-2-amine;4-[1-[(6-tert-butyl-2-pyridinyl)methyl]triazol-4-yl]-N-[(2S)-1-methoxypropan-2-yl]-6-(3-methylphenyl)pyrimidin-2-amine;4-[1-[(6-tert-butyl-2-pyridinyl)methyl]triazol-4-yl]-N-[(2R)-1-methoxypropan-2-yl]-6-(3-methylphenyl)pyrimidin-2-amine;pentakis(carbon dioxide);4-(3-methylphenyl)-N-[(3S)-oxolan-3-yl]-6-[1-[(6-propan-2-yl-2-pyridinyl)methyl]triazol-4-yl]pyrimidin-2-amine;(2R)-2-[[4-(3-methylphenyl)-6-[1-[[6-(trifluoromethyl)-2-pyridinyl]methyl]triazol-4-yl]pyrimidin-2-yl]amino]propanoic acid?
The InChIKey is OVOKAZUWCOMNEY-DIYGLBOVSA-N. The full InChI is InChI=1S/2C27H33N7O.C26H29N7O.C26H31N7O.C23H20F3N7O2.C23H24FN7.5CO2/c2*1-18-9-7-10-20(13-18)22-14-23(31-26(30-22)28-19(2)17-35-6)24-16-34(33-32-24)15-21-11-8-12-25(29-21)27(3,4)5;1-17(2)22-9-5-8-20(27-22)14-33-15-25(31-32-33)24-13-23(19-7-4-6-18(3)12-19)29-26(30-24)28-21-10-11-34-16-21;1-18-8-6-9-19(14-18)21-15-22(30-25(29-21)27-12-13-34-5)23-17-33(32-31-23)16-20-10-7-11-24(28-20)26(2,3)4;1-13-5-3-6-15(9-13)17-10-18(30-22(29-17)27-14(2)21(34)35)19-12-33(32-31-19)11-16-7-4-8-20(28-16)23(24,25)26;1-14-7-5-9-16(21(14)24)17-11-18(28-22(25)27-17)19-13-31(30-29-19)12-15-8-6-10-20(26-15)23(2,3)4;5*2-1-3/h2*7-14,16,19H,15,17H2,1-6H3,(H,28,30,31);4-9,12-13,15,17,21H,10-11,14,16H2,1-3H3,(H,28,29,30);6-11,14-15,17H,12-13,16H2,1-5H3,(H,27,29,30);3-10,12,14H,11H2,1-2H3,(H,34,35)(H,27,29,30);5-11,13H,12H2,1-4H3,(H2,25,27,28);;;;;/t2*19-;21-;;14-;;;;;;/m100.1....../s1.
What are the key properties of 4-[1-[(6-tert-butyl-2-pyridinyl)methyl]triazol-4-yl]-6-(2-fluoro-3-methylphenyl)pyrimidin-2-amine;4-[1-[(6-tert-butyl-2-pyridinyl)methyl]triazol-4-yl]-N-(2-methoxyethyl)-6-(3-methylphenyl)pyrimidin-2-amine;4-[1-[(6-tert-butyl-2-pyridinyl)methyl]triazol-4-yl]-N-[(2S)-1-methoxypropan-2-yl]-6-(3-methylphenyl)pyrimidin-2-amine;4-[1-[(6-tert-butyl-2-pyridinyl)methyl]triazol-4-yl]-N-[(2R)-1-methoxypropan-2-yl]-6-(3-methylphenyl)pyrimidin-2-amine;pentakis(carbon dioxide);4-(3-methylphenyl)-N-[(3S)-oxolan-3-yl]-6-[1-[(6-propan-2-yl-2-pyridinyl)methyl]triazol-4-yl]pyrimidin-2-amine;(2R)-2-[[4-(3-methylphenyl)-6-[1-[[6-(trifluoromethyl)-2-pyridinyl]methyl]triazol-4-yl]pyrimidin-2-yl]amino]propanoic acid?
4-[1-[(6-tert-butyl-2-pyridinyl)methyl]triazol-4-yl]-6-(2-fluoro-3-methylphenyl)pyrimidin-2-amine;4-[1-[(6-tert-butyl-2-pyridinyl)methyl]triazol-4-yl]-N-(2-methoxyethyl)-6-(3-methylphenyl)pyrimidin-2-amine;4-[1-[(6-tert-butyl-2-pyridinyl)methyl]triazol-4-yl]-N-[(2S)-1-methoxypropan-2-yl]-6-(3-methylphenyl)pyrimidin-2-amine;4-[1-[(6-tert-butyl-2-pyridinyl)methyl]triazol-4-yl]-N-[(2R)-1-methoxypropan-2-yl]-6-(3-methylphenyl)pyrimidin-2-amine;pentakis(carbon dioxide);4-(3-methylphenyl)-N-[(3S)-oxolan-3-yl]-6-[1-[(6-propan-2-yl-2-pyridinyl)methyl]triazol-4-yl]pyrimidin-2-amine;(2R)-2-[[4-(3-methylphenyl)-6-[1-[[6-(trifluoromethyl)-2-pyridinyl]methyl]triazol-4-yl]pyrimidin-2-yl]amino]propanoic acid has a molecular weight of 2977.36 g/mol, XLogP of 24.10, 42 rotatable bonds, 7 hydrogen bond donors, and 57 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(6-tert-butyl-2-pyridinyl)methyl]triazol-4-yl]-6-(2-fluoro-3-methylphenyl)pyrimidin-2-amine;4-[1-[(6-tert-butyl-2-pyridinyl)methyl]triazol-4-yl]-N-(2-methoxyethyl)-6-(3-methylphenyl)pyrimidin-2-amine;4-[1-[(6-tert-butyl-2-pyridinyl)methyl]triazol-4-yl]-N-[(2S)-1-methoxypropan-2-yl]-6-(3-methylphenyl)pyrimidin-2-amine;4-[1-[(6-tert-butyl-2-pyridinyl)methyl]triazol-4-yl]-N-[(2R)-1-methoxypropan-2-yl]-6-(3-methylphenyl)pyrimidin-2-amine;pentakis(carbon dioxide);4-(3-methylphenyl)-N-[(3S)-oxolan-3-yl]-6-[1-[(6-propan-2-yl-2-pyridinyl)methyl]triazol-4-yl]pyrimidin-2-amine;(2R)-2-[[4-(3-methylphenyl)-6-[1-[[6-(trifluoromethyl)-2-pyridinyl]methyl]triazol-4-yl]pyrimidin-2-yl]amino]propanoic acid is sourced from PubChem (CID 165045582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).