4-[4-fluoro-2-(4-hydroxycyclohexyl)oxyanilino]-5-methyl-N-(oxan-2-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide;4-[4-fluoro-2-(4-hydroxycyclohexyl)oxyanilino]-5-methyl-N-(oxan-3-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide;1-[4-[4-fluoro-2-(4-hydroxycyclohexyl)oxyanilino]-5-methylthieno[2,3-d]pyrimidin-6-yl]-5-pyrrolidin-1-ylpentan-1-one;1-[4-[4-fluoro-2-(4-methoxycyclohexyl)oxyanilino]-5-methylthieno[2,3-d]pyrimidin-6-yl]-5-(4-methylpiperazin-1-yl)pentan-1-one;1-[4-[4-fluoro-2-(4-methoxycyclohexyl)oxyanilino]-5-methylthieno[2,3-d]pyrimidin-6-yl]-4-(1-methylpyrrolidin-2-yl)butan-1-one;methane

C142H186F5N21O17S5 — CID 159396764

IUPAC4-[4-fluoro-2-(4-hydroxycyclohexyl)oxyanilino]-5-methyl-N-(oxan-2-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide;4-[4-fluoro-2-(4-hydroxycyclohexyl)oxyanilino]-5-methyl-N-(oxan-3-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide;1-[4-[4-fluoro-2-(4-hydroxycyclohexyl)oxyanilino]-5-methylthieno[2,3-d]pyrimidin-6-yl]-5-pyrrolidin-1-ylpentan-1-one;1-[4-[4-fluoro-2-(4-methoxycyclohexyl)oxyanilino]-5-methylthieno[2,3-d]pyrimidin-6-yl]-5-(4-methylpiperazin-1-yl)pentan-1-one;1-[4-[4-fluoro-2-(4-methoxycyclohexyl)oxyanilino]-5-methylthieno[2,3-d]pyrimidin-6-yl]-4-(1-methylpyrrolidin-2-yl)butan-1-one;methane
SMILESC.C.C.COC1CCC(Oc2cc(F)ccc2Nc2ncnc3sc(C(=O)CCCC4CCCN4C)c(C)c23)CC1.COC1CCC(Oc2cc(F)ccc2Nc2ncnc3sc(C(=O)CCCCN4CCN(C)CC4)c(C)c23)CC1.Cc1c(C(=O)CCCCN2CCCC2)sc2ncnc(Nc3ccc(F)cc3OC3CCC(O)CC3)c12.Cc1c(C(=O)NCC2CCCCO2)sc2ncnc(Nc3ccc(F)cc3OC3CCC(O)CC3)c12.Cc1c(C(=O)NCC2CCCOC2)sc2ncnc(Nc3ccc(F)cc3OC3CCC(O)CC3)c12
InChIInChI=1S/C30H40FN5O3S.C29H37FN4O3S.C28H35FN4O3S.2C26H31FN4O4S.3CH4/c1-20-27-29(34-24-12-7-21(31)18-26(24)39-23-10-8-22(38-3)9-11-23)32-19-33-30(27)40-28(20)25(37)6-4-5-13-36-16-14-35(2)15-17-36;1-18-26-28(33-23-14-9-19(30)16-25(23)37-22-12-10-21(36-3)11-13-22)31-17-32-29(26)38-27(18)24(35)8-4-6-20-7-5-15-34(20)2;1-18-25-27(32-22-12-7-19(29)16-24(22)36-21-10-8-20(34)9-11-21)30-17-31-28(25)37-26(18)23(35)6-2-3-13-33-14-4-5-15-33;1-15-22-24(31-20-9-4-17(27)11-21(20)35-19-7-5-18(32)6-8-19)29-14-30-26(22)36-23(15)25(33)28-12-16-3-2-10-34-13-16;1-15-22-24(31-20-10-5-16(27)12-21(20)35-18-8-6-17(32)7-9-18)29-14-30-26(22)36-23(15)25(33)28-13-19-4-2-3-11-34-19;;;/h7,12,18-19,22-23H,4-6,8-11,13-17H2,1-3H3,(H,32,33,34);9,14,16-17,20-22H,4-8,10-13,15H2,1-3H3,(H,31,32,33);7,12,16-17,20-21,34H,2-6,8-11,13-15H2,1H3,(H,30,31,32);4,9,11,14,16,18-19,32H,2-3,5-8,10,12-13H2,1H3,(H,28,33)(H,29,30,31);5,10,12,14,17-19,32H,2-4,6-9,11,13H2,1H3,(H,28,33)(H,29,30,31);3*1H4
InChIKeyLMUZNZGKMUNOGF-UHFFFAOYSA-N
MW2714.50 g/mol
LogP29.99
Rot. Bonds45

About 4-[4-fluoro-2-(4-hydroxycyclohexyl)oxyanilino]-5-methyl-N-(oxan-2-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide;4-[4-fluoro-2-(4-hydroxycyclohexyl)oxyanilino]-5-methyl-N-(oxan-3-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide;1-[4-[4-fluoro-2-(4-hydroxycyclohexyl)oxyanilino]-5-methylthieno[2,3-d]pyrimidin-6-yl]-5-pyrrolidin-1-ylpentan-1-one;1-[4-[4-fluoro-2-(4-methoxycyclohexyl)oxyanilino]-5-methylthieno[2,3-d]pyrimidin-6-yl]-5-(4-methylpiperazin-1-yl)pentan-1-one;1-[4-[4-fluoro-2-(4-methoxycyclohexyl)oxyanilino]-5-methylthieno[2,3-d]pyrimidin-6-yl]-4-(1-methylpyrrolidin-2-yl)butan-1-one;methane

4-[4-fluoro-2-(4-hydroxycyclohexyl)oxyanilino]-5-methyl-N-(oxan-2-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide;4-[4-fluoro-2-(4-hydroxycyclohexyl)oxyanilino]-5-methyl-N-(oxan-3-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide;1-[4-[4-fluoro-2-(4-hydroxycyclohexyl)oxyanilino]-5-methylthieno[2,3-d]pyrimidin-6-yl]-5-pyrrolidin-1-ylpentan-1-one;1-[4-[4-fluoro-2-(4-methoxycyclohexyl)oxyanilino]-5-methylthieno[2,3-d]pyrimidin-6-yl]-5-(4-methylpiperazin-1-yl)pentan-1-one;1-[4-[4-fluoro-2-(4-methoxycyclohexyl)oxyanilino]-5-methylthieno[2,3-d]pyrimidin-6-yl]-4-(1-methylpyrrolidin-2-yl)butan-1-one;methane (PubChem CID 159396764) has the molecular formula C142H186F5N21O17S5 and a molecular weight of 2714.50 g/mol. Its IUPAC name is 4-[4-fluoro-2-(4-hydroxycyclohexyl)oxyanilino]-5-methyl-N-(oxan-2-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide;4-[4-fluoro-2-(4-hydroxycyclohexyl)oxyanilino]-5-methyl-N-(oxan-3-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide;1-[4-[4-fluoro-2-(4-hydroxycyclohexyl)oxyanilino]-5-methylthieno[2,3-d]pyrimidin-6-yl]-5-pyrrolidin-1-ylpentan-1-one;1-[4-[4-fluoro-2-(4-methoxycyclohexyl)oxyanilino]-5-methylthieno[2,3-d]pyrimidin-6-yl]-5-(4-methylpiperazin-1-yl)pentan-1-one;1-[4-[4-fluoro-2-(4-methoxycyclohexyl)oxyanilino]-5-methylthieno[2,3-d]pyrimidin-6-yl]-4-(1-methylpyrrolidin-2-yl)butan-1-one;methane.

Molecular Properties

Compound Name4-[4-fluoro-2-(4-hydroxycyclohexyl)oxyanilino]-5-methyl-N-(oxan-2-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide;4-[4-fluoro-2-(4-hydroxycyclohexyl)oxyanilino]-5-methyl-N-(oxan-3-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide;1-[4-[4-fluoro-2-(4-hydroxycyclohexyl)oxyanilino]-5-methylthieno[2,3-d]pyrimidin-6-yl]-5-pyrrolidin-1-ylpentan-1-one;1-[4-[4-fluoro-2-(4-methoxycyclohexyl)oxyanilino]-5-methylthieno[2,3-d]pyrimidin-6-yl]-5-(4-methylpiperazin-1-yl)pentan-1-one;1-[4-[4-fluoro-2-(4-methoxycyclohexyl)oxyanilino]-5-methylthieno[2,3-d]pyrimidin-6-yl]-4-(1-methylpyrrolidin-2-yl)butan-1-one;methane
PubChem CID159396764
Molecular FormulaC142H186F5N21O17S5
Molecular Weight2714.50 g/mol
Exact Mass2712.29
IUPAC Name4-[4-fluoro-2-(4-hydroxycyclohexyl)oxyanilino]-5-methyl-N-(oxan-2-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide;4-[4-fluoro-2-(4-hydroxycyclohexyl)oxyanilino]-5-methyl-N-(oxan-3-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide;1-[4-[4-fluoro-2-(4-hydroxycyclohexyl)oxyanilino]-5-methylthieno[2,3-d]pyrimidin-6-yl]-5-pyrrolidin-1-ylpentan-1-one;1-[4-[4-fluoro-2-(4-methoxycyclohexyl)oxyanilino]-5-methylthieno[2,3-d]pyrimidin-6-yl]-5-(4-methylpiperazin-1-yl)pentan-1-one;1-[4-[4-fluoro-2-(4-methoxycyclohexyl)oxyanilino]-5-methylthieno[2,3-d]pyrimidin-6-yl]-4-(1-methylpyrrolidin-2-yl)butan-1-one;methane
SMILESC.C.C.COC1CCC(Oc2cc(F)ccc2Nc2ncnc3sc(C(=O)CCCC4CCCN4C)c(C)c23)CC1.COC1CCC(Oc2cc(F)ccc2Nc2ncnc3sc(C(=O)CCCCN4CCN(C)CC4)c(C)c23)CC1.Cc1c(C(=O)CCCCN2CCCC2)sc2ncnc(Nc3ccc(F)cc3OC3CCC(O)CC3)c12.Cc1c(C(=O)NCC2CCCCO2)sc2ncnc(Nc3ccc(F)cc3OC3CCC(O)CC3)c12.Cc1c(C(=O)NCC2CCCOC2)sc2ncnc(Nc3ccc(F)cc3OC3CCC(O)CC3)c12
InChIInChI=1S/C30H40FN5O3S.C29H37FN4O3S.C28H35FN4O3S.2C26H31FN4O4S.3CH4/c1-20-27-29(34-24-12-7-21(31)18-26(24)39-23-10-8-22(38-3)9-11-23)32-19-33-30(27)40-28(20)25(37)6-4-5-13-36-16-14-35(2)15-17-36;1-18-26-28(33-23-14-9-19(30)16-25(23)37-22-12-10-21(36-3)11-13-22)31-17-32-29(26)38-27(18)24(35)8-4-6-20-7-5-15-34(20)2;1-18-25-27(32-22-12-7-19(29)16-24(22)36-21-10-8-20(34)9-11-21)30-17-31-28(25)37-26(18)23(35)6-2-3-13-33-14-4-5-15-33;1-15-22-24(31-20-9-4-17(27)11-21(20)35-19-7-5-18(32)6-8-19)29-14-30-26(22)36-23(15)25(33)28-12-16-3-2-10-34-13-16;1-15-22-24(31-20-10-5-16(27)12-21(20)35-18-8-6-17(32)7-9-18)29-14-30-26(22)36-23(15)25(33)28-13-19-4-2-3-11-34-19;;;/h7,12,18-19,22-23H,4-6,8-11,13-17H2,1-3H3,(H,32,33,34);9,14,16-17,20-22H,4-8,10-13,15H2,1-3H3,(H,31,32,33);7,12,16-17,20-21,34H,2-6,8-11,13-15H2,1H3,(H,30,31,32);4,9,11,14,16,18-19,32H,2-3,5-8,10,12-13H2,1H3,(H,28,33)(H,29,30,31);5,10,12,14,17-19,32H,2-4,6-9,11,13H2,1H3,(H,28,33)(H,29,30,31);3*1H4
InChIKeyLMUZNZGKMUNOGF-UHFFFAOYSA-N
XLogP29.99
TPSA455.18 Ų
H-Bond Donors10
H-Bond Acceptors41
Rotatable Bonds45
Heavy Atoms190
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002714.50
LogP ≤ 529.99
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1041

Computed Properties (RDKit)

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

Analyze 4-[4-fluoro-2-(4-hydroxycyclohexyl)oxyanilino]-5-methyl-N-(oxan-2-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide;4-[4-fluoro-2-(4-hydroxycyclohexyl)oxyanilino]-5-methyl-N-(oxan-3-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide;1-[4-[4-fluoro-2-(4-hydroxycyclohexyl)oxyanilino]-5-methylthieno[2,3-d]pyrimidin-6-yl]-5-pyrrolidin-1-ylpentan-1-one;1-[4-[4-fluoro-2-(4-methoxycyclohexyl)oxyanilino]-5-methylthieno[2,3-d]pyrimidin-6-yl]-5-(4-methylpiperazin-1-yl)pentan-1-one;1-[4-[4-fluoro-2-(4-methoxycyclohexyl)oxyanilino]-5-methylthieno[2,3-d]pyrimidin-6-yl]-4-(1-methylpyrrolidin-2-yl)butan-1-one;methane with MolForge

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Related Compounds

4-[4-fluoro-2-(4-hydroxycyclohexyl)oxyanilino]-5-methyl-N-(morpholin-3-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 53373603
CID 157986573
CID 157986573
[7-(4-fluoro-2-propan-2-yloxyanilino)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]methanol;7-(1H-isoindol-5-ylamino)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-N-piperidin-4-yl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[4-[2-oxo-3-[3-(trifluoromethyl)phenyl]propyl]anilino]-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;sulfane
CID 158749674
[7-(4-fluoro-2-propan-2-yloxyanilino)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]methanol;N-(4-fluoro-2-propan-2-yloxyphenyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine;N-[3-(methylamino)propyl]-7-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-N-piperidin-4-yl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;N-[1-[2-[2-(1-methylpiperidin-4-yl)acetyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]-2,3-dihydroindol-5-yl]acetamide;7-[4-[2-oxo-3-[3-(trifluoromethyl)phenyl]propyl]anilino]-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;sulfane
CID 159310679
2-(azetidin-3-yl)-1-[7-(4-fluoro-2-propan-2-yloxyanilino)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]ethanone;1-[7-(4-fluoro-2-propan-2-yloxyanilino)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]heptan-1-one;1-[7-(4-fluoro-2-propan-2-yloxyanilino)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]-4-(methylamino)butan-1-one;7-[3-(2-hydroxyethyl)-3-methyl-2H-indol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;N-(oxan-4-yl)-7-[5-(trifluoromethyl)-2,3-dihydroindol-1-yl]-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide
CID 160303214
7-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;2-(azetidin-3-yl)-1-[7-(4-fluoro-2-propan-2-yloxyanilino)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]ethanone;7-(2,3-dihydroindol-1-yl)-N-[3-(dimethylamino)propyl]-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;1-[7-(4-fluoro-2-propan-2-yloxyanilino)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]heptan-1-one;N-(oxan-4-yl)-7-[5-(trifluoromethyl)-2,3-dihydroindol-1-yl]-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide
CID 160652633
1-[4-[4-Fluoro-2-(4-hydroxycyclohexyl)oxyanilino]-5-methylthieno[2,3-d]pyrimidin-6-yl]-4-(1-methylpyrrolidin-2-yl)butan-1-one
CID 161871300
(E)-4-(dimethylamino)-1-[3-[[(1S)-2-hydroxy-1-phenylethyl]amino]-10,10-dimethyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-11-yl]but-2-en-1-one;(E)-4-(dimethylamino)-1-[3-[[(1S)-2-hydroxy-1-phenylethyl]amino]-12,12-dimethyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-11-yl]but-2-en-1-one;(E)-4-(dimethylamino)-1-[3-[[(1S)-2-hydroxy-1-phenylethyl]amino]-10,10,12,12-tetramethyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-11-yl]but-2-en-1-one;N-[3-[4-[[(1S)-2-hydroxy-1-phenylethyl]amino]thieno[2,3-d]pyrimidin-5-yl]phenyl]prop-2-enamide;N-[3-[4-[(2-methoxy-1-phenylethyl)-methylamino]-6-phenylfuro[2,3-d]pyrimidin-5-yl]phenyl]prop-2-enamide
CID 157051831
N-(4-aminobutyl)-4-[4-fluoro-2-(oxan-4-yloxy)anilino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide;N-[3-(dimethylamino)propyl]-4-[4-fluoro-2-(oxan-4-yloxy)anilino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide;4-[4-fluoro-2-(oxan-4-yloxy)anilino]-N,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide;4-[4-fluoro-2-(oxan-4-yloxy)anilino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide;4-[4-fluoro-2-(oxan-4-yloxy)anilino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid;4-(4-fluoro-2-propan-2-yloxyanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid
CID 157079161
7-(3-butyl-2,3-dihydroindol-1-yl)-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;1-[7-(4-fluoro-2-propan-2-yloxyanilino)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]-2-(1-methylpiperidin-4-yl)ethanone;1-[7-(4-fluoro-2-propan-2-yloxyanilino)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]-2-piperidin-4-ylethanone;7-(5-hydroxy-2,3-dihydroindol-1-yl)-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;N-(oxan-4-yl)-7-(5-propan-2-yloxy-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide
CID 157251823
N-[3-(dimethylamino)propyl]-4-[4-fluoro-2-[(1S,3S)-3-hydroxycyclohexyl]oxyanilino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide;4-[4-fluoro-2-(4-hydroxycyclohexyl)oxyanilino]-5-methyl-N-(1,3-oxazol-5-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide;4-[4-fluoro-2-[(1S,3S)-3-hydroxycyclohexyl]oxyanilino]-5-methyl-N-(3-pyrrolidin-1-ylpropyl)thieno[2,3-d]pyrimidine-6-carboxamide;4-[4-fluoro-2-(4-methoxycyclohexyl)oxyanilino]-5-methyl-N-(3-pyrrolidin-1-ylpropyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 157450804
4-[4-fluoro-2-(4-hydroxycyclohexyl)oxyanilino]-5-methyl-N-(1-methylpiperidin-4-yl)thieno[2,3-d]pyrimidine-6-carboxamide;4-[4-fluoro-2-(4-methoxycyclohexyl)oxyanilino]-5-methyl-N-(1-methylpiperidin-4-yl)thieno[2,3-d]pyrimidine-6-carboxamide;4-[4-fluoro-2-(4-methoxycyclohexyl)oxyanilino]-5-methyl-N-(morpholin-2-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 157591945

Frequently Asked Questions

What is the IUPAC name of 4-[4-fluoro-2-(4-hydroxycyclohexyl)oxyanilino]-5-methyl-N-(oxan-2-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide;4-[4-fluoro-2-(4-hydroxycyclohexyl)oxyanilino]-5-methyl-N-(oxan-3-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide;1-[4-[4-fluoro-2-(4-hydroxycyclohexyl)oxyanilino]-5-methylthieno[2,3-d]pyrimidin-6-yl]-5-pyrrolidin-1-ylpentan-1-one;1-[4-[4-fluoro-2-(4-methoxycyclohexyl)oxyanilino]-5-methylthieno[2,3-d]pyrimidin-6-yl]-5-(4-methylpiperazin-1-yl)pentan-1-one;1-[4-[4-fluoro-2-(4-methoxycyclohexyl)oxyanilino]-5-methylthieno[2,3-d]pyrimidin-6-yl]-4-(1-methylpyrrolidin-2-yl)butan-1-one;methane?
The IUPAC name of 4-[4-fluoro-2-(4-hydroxycyclohexyl)oxyanilino]-5-methyl-N-(oxan-2-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide;4-[4-fluoro-2-(4-hydroxycyclohexyl)oxyanilino]-5-methyl-N-(oxan-3-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide;1-[4-[4-fluoro-2-(4-hydroxycyclohexyl)oxyanilino]-5-methylthieno[2,3-d]pyrimidin-6-yl]-5-pyrrolidin-1-ylpentan-1-one;1-[4-[4-fluoro-2-(4-methoxycyclohexyl)oxyanilino]-5-methylthieno[2,3-d]pyrimidin-6-yl]-5-(4-methylpiperazin-1-yl)pentan-1-one;1-[4-[4-fluoro-2-(4-methoxycyclohexyl)oxyanilino]-5-methylthieno[2,3-d]pyrimidin-6-yl]-4-(1-methylpyrrolidin-2-yl)butan-1-one;methane (CID 159396764) is 4-[4-fluoro-2-(4-hydroxycyclohexyl)oxyanilino]-5-methyl-N-(oxan-2-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide;4-[4-fluoro-2-(4-hydroxycyclohexyl)oxyanilino]-5-methyl-N-(oxan-3-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide;1-[4-[4-fluoro-2-(4-hydroxycyclohexyl)oxyanilino]-5-methylthieno[2,3-d]pyrimidin-6-yl]-5-pyrrolidin-1-ylpentan-1-one;1-[4-[4-fluoro-2-(4-methoxycyclohexyl)oxyanilino]-5-methylthieno[2,3-d]pyrimidin-6-yl]-5-(4-methylpiperazin-1-yl)pentan-1-one;1-[4-[4-fluoro-2-(4-methoxycyclohexyl)oxyanilino]-5-methylthieno[2,3-d]pyrimidin-6-yl]-4-(1-methylpyrrolidin-2-yl)butan-1-one;methane.
What is the SMILES notation for 4-[4-fluoro-2-(4-hydroxycyclohexyl)oxyanilino]-5-methyl-N-(oxan-2-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide;4-[4-fluoro-2-(4-hydroxycyclohexyl)oxyanilino]-5-methyl-N-(oxan-3-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide;1-[4-[4-fluoro-2-(4-hydroxycyclohexyl)oxyanilino]-5-methylthieno[2,3-d]pyrimidin-6-yl]-5-pyrrolidin-1-ylpentan-1-one;1-[4-[4-fluoro-2-(4-methoxycyclohexyl)oxyanilino]-5-methylthieno[2,3-d]pyrimidin-6-yl]-5-(4-methylpiperazin-1-yl)pentan-1-one;1-[4-[4-fluoro-2-(4-methoxycyclohexyl)oxyanilino]-5-methylthieno[2,3-d]pyrimidin-6-yl]-4-(1-methylpyrrolidin-2-yl)butan-1-one;methane?
The canonical SMILES for 4-[4-fluoro-2-(4-hydroxycyclohexyl)oxyanilino]-5-methyl-N-(oxan-2-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide;4-[4-fluoro-2-(4-hydroxycyclohexyl)oxyanilino]-5-methyl-N-(oxan-3-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide;1-[4-[4-fluoro-2-(4-hydroxycyclohexyl)oxyanilino]-5-methylthieno[2,3-d]pyrimidin-6-yl]-5-pyrrolidin-1-ylpentan-1-one;1-[4-[4-fluoro-2-(4-methoxycyclohexyl)oxyanilino]-5-methylthieno[2,3-d]pyrimidin-6-yl]-5-(4-methylpiperazin-1-yl)pentan-1-one;1-[4-[4-fluoro-2-(4-methoxycyclohexyl)oxyanilino]-5-methylthieno[2,3-d]pyrimidin-6-yl]-4-(1-methylpyrrolidin-2-yl)butan-1-one;methane is C.C.C.COC1CCC(Oc2cc(F)ccc2Nc2ncnc3sc(C(=O)CCCC4CCCN4C)c(C)c23)CC1.COC1CCC(Oc2cc(F)ccc2Nc2ncnc3sc(C(=O)CCCCN4CCN(C)CC4)c(C)c23)CC1.Cc1c(C(=O)CCCCN2CCCC2)sc2ncnc(Nc3ccc(F)cc3OC3CCC(O)CC3)c12.Cc1c(C(=O)NCC2CCCCO2)sc2ncnc(Nc3ccc(F)cc3OC3CCC(O)CC3)c12.Cc1c(C(=O)NCC2CCCOC2)sc2ncnc(Nc3ccc(F)cc3OC3CCC(O)CC3)c12.
What is the InChIKey of 4-[4-fluoro-2-(4-hydroxycyclohexyl)oxyanilino]-5-methyl-N-(oxan-2-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide;4-[4-fluoro-2-(4-hydroxycyclohexyl)oxyanilino]-5-methyl-N-(oxan-3-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide;1-[4-[4-fluoro-2-(4-hydroxycyclohexyl)oxyanilino]-5-methylthieno[2,3-d]pyrimidin-6-yl]-5-pyrrolidin-1-ylpentan-1-one;1-[4-[4-fluoro-2-(4-methoxycyclohexyl)oxyanilino]-5-methylthieno[2,3-d]pyrimidin-6-yl]-5-(4-methylpiperazin-1-yl)pentan-1-one;1-[4-[4-fluoro-2-(4-methoxycyclohexyl)oxyanilino]-5-methylthieno[2,3-d]pyrimidin-6-yl]-4-(1-methylpyrrolidin-2-yl)butan-1-one;methane?
The InChIKey is LMUZNZGKMUNOGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H40FN5O3S.C29H37FN4O3S.C28H35FN4O3S.2C26H31FN4O4S.3CH4/c1-20-27-29(34-24-12-7-21(31)18-26(24)39-23-10-8-22(38-3)9-11-23)32-19-33-30(27)40-28(20)25(37)6-4-5-13-36-16-14-35(2)15-17-36;1-18-26-28(33-23-14-9-19(30)16-25(23)37-22-12-10-21(36-3)11-13-22)31-17-32-29(26)38-27(18)24(35)8-4-6-20-7-5-15-34(20)2;1-18-25-27(32-22-12-7-19(29)16-24(22)36-21-10-8-20(34)9-11-21)30-17-31-28(25)37-26(18)23(35)6-2-3-13-33-14-4-5-15-33;1-15-22-24(31-20-9-4-17(27)11-21(20)35-19-7-5-18(32)6-8-19)29-14-30-26(22)36-23(15)25(33)28-12-16-3-2-10-34-13-16;1-15-22-24(31-20-10-5-16(27)12-21(20)35-18-8-6-17(32)7-9-18)29-14-30-26(22)36-23(15)25(33)28-13-19-4-2-3-11-34-19;;;/h7,12,18-19,22-23H,4-6,8-11,13-17H2,1-3H3,(H,32,33,34);9,14,16-17,20-22H,4-8,10-13,15H2,1-3H3,(H,31,32,33);7,12,16-17,20-21,34H,2-6,8-11,13-15H2,1H3,(H,30,31,32);4,9,11,14,16,18-19,32H,2-3,5-8,10,12-13H2,1H3,(H,28,33)(H,29,30,31);5,10,12,14,17-19,32H,2-4,6-9,11,13H2,1H3,(H,28,33)(H,29,30,31);3*1H4.
What are the key properties of 4-[4-fluoro-2-(4-hydroxycyclohexyl)oxyanilino]-5-methyl-N-(oxan-2-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide;4-[4-fluoro-2-(4-hydroxycyclohexyl)oxyanilino]-5-methyl-N-(oxan-3-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide;1-[4-[4-fluoro-2-(4-hydroxycyclohexyl)oxyanilino]-5-methylthieno[2,3-d]pyrimidin-6-yl]-5-pyrrolidin-1-ylpentan-1-one;1-[4-[4-fluoro-2-(4-methoxycyclohexyl)oxyanilino]-5-methylthieno[2,3-d]pyrimidin-6-yl]-5-(4-methylpiperazin-1-yl)pentan-1-one;1-[4-[4-fluoro-2-(4-methoxycyclohexyl)oxyanilino]-5-methylthieno[2,3-d]pyrimidin-6-yl]-4-(1-methylpyrrolidin-2-yl)butan-1-one;methane?
4-[4-fluoro-2-(4-hydroxycyclohexyl)oxyanilino]-5-methyl-N-(oxan-2-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide;4-[4-fluoro-2-(4-hydroxycyclohexyl)oxyanilino]-5-methyl-N-(oxan-3-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide;1-[4-[4-fluoro-2-(4-hydroxycyclohexyl)oxyanilino]-5-methylthieno[2,3-d]pyrimidin-6-yl]-5-pyrrolidin-1-ylpentan-1-one;1-[4-[4-fluoro-2-(4-methoxycyclohexyl)oxyanilino]-5-methylthieno[2,3-d]pyrimidin-6-yl]-5-(4-methylpiperazin-1-yl)pentan-1-one;1-[4-[4-fluoro-2-(4-methoxycyclohexyl)oxyanilino]-5-methylthieno[2,3-d]pyrimidin-6-yl]-4-(1-methylpyrrolidin-2-yl)butan-1-one;methane has a molecular weight of 2714.50 g/mol, XLogP of 29.99, 45 rotatable bonds, 10 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-fluoro-2-(4-hydroxycyclohexyl)oxyanilino]-5-methyl-N-(oxan-2-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide;4-[4-fluoro-2-(4-hydroxycyclohexyl)oxyanilino]-5-methyl-N-(oxan-3-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide;1-[4-[4-fluoro-2-(4-hydroxycyclohexyl)oxyanilino]-5-methylthieno[2,3-d]pyrimidin-6-yl]-5-pyrrolidin-1-ylpentan-1-one;1-[4-[4-fluoro-2-(4-methoxycyclohexyl)oxyanilino]-5-methylthieno[2,3-d]pyrimidin-6-yl]-5-(4-methylpiperazin-1-yl)pentan-1-one;1-[4-[4-fluoro-2-(4-methoxycyclohexyl)oxyanilino]-5-methylthieno[2,3-d]pyrimidin-6-yl]-4-(1-methylpyrrolidin-2-yl)butan-1-one;methane is sourced from PubChem (CID 159396764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).