7-bromo-2-chloro-4-(2,4-dimethylimidazol-1-yl)thieno[3,2-d]pyrimidine;7-bromo-2,4-dichlorothieno[3,2-d]pyrimidine;4-[7-bromo-4-(2,4-dimethylimidazol-1-yl)thieno[3,2-d]pyrimidin-2-yl]morpholine;tert-butyl 4-[[4-(2,4-dimethylimidazol-1-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazine-1-carboxylate;2,5-dimethyl-1H-imidazole;morpholine;2,2,2-trifluoroacetic acid

C68H78Br3Cl3F3N21O7S4 — CID 158121260

IUPAC7-bromo-2-chloro-4-(2,4-dimethylimidazol-1-yl)thieno[3,2-d]pyrimidine;7-bromo-2,4-dichlorothieno[3,2-d]pyrimidine;4-[7-bromo-4-(2,4-dimethylimidazol-1-yl)thieno[3,2-d]pyrimidin-2-yl]morpholine;tert-butyl 4-[[4-(2,4-dimethylimidazol-1-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazine-1-carboxylate;2,5-dimethyl-1H-imidazole;morpholine;2,2,2-trifluoroacetic acid
SMILESC1COCCN1.Cc1cn(-c2nc(Cl)nc3c(Br)csc23)c(C)n1.Cc1cn(-c2nc(N3CCOCC3)nc3c(Br)csc23)c(C)n1.Cc1cn(-c2nc(N3CCOCC3)nc3c(CN4CCN(C(=O)OC(C)(C)C)CC4)csc23)c(C)n1.Cc1cnc(C)[nH]1.Clc1nc(Cl)c2scc(Br)c2n1.O=C(O)C(F)(F)F
InChIInChI=1S/C25H35N7O3S.C15H16BrN5OS.C11H8BrClN4S.C6HBrCl2N2S.C5H8N2.C4H9NO.C2HF3O2/c1-17-14-32(18(2)26-17)22-21-20(27-23(28-22)30-10-12-34-13-11-30)19(16-36-21)15-29-6-8-31(9-7-29)24(33)35-25(3,4)5;1-9-7-21(10(2)17-9)14-13-12(11(16)8-23-13)18-15(19-14)20-3-5-22-6-4-20;1-5-3-17(6(2)14-5)10-9-8(7(12)4-18-9)15-11(13)16-10;7-2-1-12-4-3(2)10-6(9)11-5(4)8;1-4-3-6-5(2)7-4;1-3-6-4-2-5-1;3-2(4,5)1(6)7/h14,16H,6-13,15H2,1-5H3;7-8H,3-6H2,1-2H3;3-4H,1-2H3;1H;3H,1-2H3,(H,6,7);5H,1-4H2;(H,6,7)
InChIKeyFOKCEOGGBRSMQJ-UHFFFAOYSA-N
MW1832.84 g/mol
LogP15.41
Rot. Bonds7

About 7-bromo-2-chloro-4-(2,4-dimethylimidazol-1-yl)thieno[3,2-d]pyrimidine;7-bromo-2,4-dichlorothieno[3,2-d]pyrimidine;4-[7-bromo-4-(2,4-dimethylimidazol-1-yl)thieno[3,2-d]pyrimidin-2-yl]morpholine;tert-butyl 4-[[4-(2,4-dimethylimidazol-1-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazine-1-carboxylate;2,5-dimethyl-1H-imidazole;morpholine;2,2,2-trifluoroacetic acid

7-bromo-2-chloro-4-(2,4-dimethylimidazol-1-yl)thieno[3,2-d]pyrimidine;7-bromo-2,4-dichlorothieno[3,2-d]pyrimidine;4-[7-bromo-4-(2,4-dimethylimidazol-1-yl)thieno[3,2-d]pyrimidin-2-yl]morpholine;tert-butyl 4-[[4-(2,4-dimethylimidazol-1-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazine-1-carboxylate;2,5-dimethyl-1H-imidazole;morpholine;2,2,2-trifluoroacetic acid (PubChem CID 158121260) has the molecular formula C68H78Br3Cl3F3N21O7S4 and a molecular weight of 1832.84 g/mol. Its IUPAC name is 7-bromo-2-chloro-4-(2,4-dimethylimidazol-1-yl)thieno[3,2-d]pyrimidine;7-bromo-2,4-dichlorothieno[3,2-d]pyrimidine;4-[7-bromo-4-(2,4-dimethylimidazol-1-yl)thieno[3,2-d]pyrimidin-2-yl]morpholine;tert-butyl 4-[[4-(2,4-dimethylimidazol-1-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazine-1-carboxylate;2,5-dimethyl-1H-imidazole;morpholine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name7-bromo-2-chloro-4-(2,4-dimethylimidazol-1-yl)thieno[3,2-d]pyrimidine;7-bromo-2,4-dichlorothieno[3,2-d]pyrimidine;4-[7-bromo-4-(2,4-dimethylimidazol-1-yl)thieno[3,2-d]pyrimidin-2-yl]morpholine;tert-butyl 4-[[4-(2,4-dimethylimidazol-1-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazine-1-carboxylate;2,5-dimethyl-1H-imidazole;morpholine;2,2,2-trifluoroacetic acid
PubChem CID158121260
Molecular FormulaC68H78Br3Cl3F3N21O7S4
Molecular Weight1832.84 g/mol
Exact Mass1827.18
IUPAC Name7-bromo-2-chloro-4-(2,4-dimethylimidazol-1-yl)thieno[3,2-d]pyrimidine;7-bromo-2,4-dichlorothieno[3,2-d]pyrimidine;4-[7-bromo-4-(2,4-dimethylimidazol-1-yl)thieno[3,2-d]pyrimidin-2-yl]morpholine;tert-butyl 4-[[4-(2,4-dimethylimidazol-1-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazine-1-carboxylate;2,5-dimethyl-1H-imidazole;morpholine;2,2,2-trifluoroacetic acid
SMILESC1COCCN1.Cc1cn(-c2nc(Cl)nc3c(Br)csc23)c(C)n1.Cc1cn(-c2nc(N3CCOCC3)nc3c(Br)csc23)c(C)n1.Cc1cn(-c2nc(N3CCOCC3)nc3c(CN4CCN(C(=O)OC(C)(C)C)CC4)csc23)c(C)n1.Cc1cnc(C)[nH]1.Clc1nc(Cl)c2scc(Br)c2n1.O=C(O)C(F)(F)F
InChIInChI=1S/C25H35N7O3S.C15H16BrN5OS.C11H8BrClN4S.C6HBrCl2N2S.C5H8N2.C4H9NO.C2HF3O2/c1-17-14-32(18(2)26-17)22-21-20(27-23(28-22)30-10-12-34-13-11-30)19(16-36-21)15-29-6-8-31(9-7-29)24(33)35-25(3,4)5;1-9-7-21(10(2)17-9)14-13-12(11(16)8-23-13)18-15(19-14)20-3-5-22-6-4-20;1-5-3-17(6(2)14-5)10-9-8(7(12)4-18-9)15-11(13)16-10;7-2-1-12-4-3(2)10-6(9)11-5(4)8;1-4-3-6-5(2)7-4;1-3-6-4-2-5-1;3-2(4,5)1(6)7/h14,16H,6-13,15H2,1-5H3;7-8H,3-6H2,1-2H3;3-4H,1-2H3;1H;3H,1-2H3,(H,6,7);5H,1-4H2;(H,6,7)
InChIKeyFOKCEOGGBRSMQJ-UHFFFAOYSA-N
XLogP15.41
TPSA301.54 Ų
H-Bond Donors3
H-Bond Acceptors29
Rotatable Bonds7
Heavy Atoms109
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001832.84
LogP ≤ 515.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1029

Analyze 7-bromo-2-chloro-4-(2,4-dimethylimidazol-1-yl)thieno[3,2-d]pyrimidine;7-bromo-2,4-dichlorothieno[3,2-d]pyrimidine;4-[7-bromo-4-(2,4-dimethylimidazol-1-yl)thieno[3,2-d]pyrimidin-2-yl]morpholine;tert-butyl 4-[[4-(2,4-dimethylimidazol-1-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazine-1-carboxylate;2,5-dimethyl-1H-imidazole;morpholine;2,2,2-trifluoroacetic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-chloro-4-(2,4-dimethylimidazol-1-yl)thieno[3,2-d]pyrimidine;7-bromo-2,4-dichlorothieno[3,2-d]pyrimidine;4-[7-bromo-4-(2,4-dimethylimidazol-1-yl)thieno[3,2-d]pyrimidin-2-yl]morpholine;tert-butyl 4-[[4-(2,4-dimethylimidazol-1-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazine-1-carboxylate;2,5-dimethyl-1H-imidazole;morpholine;2,2,2-trifluoroacetic acid?
The IUPAC name of 7-bromo-2-chloro-4-(2,4-dimethylimidazol-1-yl)thieno[3,2-d]pyrimidine;7-bromo-2,4-dichlorothieno[3,2-d]pyrimidine;4-[7-bromo-4-(2,4-dimethylimidazol-1-yl)thieno[3,2-d]pyrimidin-2-yl]morpholine;tert-butyl 4-[[4-(2,4-dimethylimidazol-1-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazine-1-carboxylate;2,5-dimethyl-1H-imidazole;morpholine;2,2,2-trifluoroacetic acid (CID 158121260) is 7-bromo-2-chloro-4-(2,4-dimethylimidazol-1-yl)thieno[3,2-d]pyrimidine;7-bromo-2,4-dichlorothieno[3,2-d]pyrimidine;4-[7-bromo-4-(2,4-dimethylimidazol-1-yl)thieno[3,2-d]pyrimidin-2-yl]morpholine;tert-butyl 4-[[4-(2,4-dimethylimidazol-1-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazine-1-carboxylate;2,5-dimethyl-1H-imidazole;morpholine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 7-bromo-2-chloro-4-(2,4-dimethylimidazol-1-yl)thieno[3,2-d]pyrimidine;7-bromo-2,4-dichlorothieno[3,2-d]pyrimidine;4-[7-bromo-4-(2,4-dimethylimidazol-1-yl)thieno[3,2-d]pyrimidin-2-yl]morpholine;tert-butyl 4-[[4-(2,4-dimethylimidazol-1-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazine-1-carboxylate;2,5-dimethyl-1H-imidazole;morpholine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 7-bromo-2-chloro-4-(2,4-dimethylimidazol-1-yl)thieno[3,2-d]pyrimidine;7-bromo-2,4-dichlorothieno[3,2-d]pyrimidine;4-[7-bromo-4-(2,4-dimethylimidazol-1-yl)thieno[3,2-d]pyrimidin-2-yl]morpholine;tert-butyl 4-[[4-(2,4-dimethylimidazol-1-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazine-1-carboxylate;2,5-dimethyl-1H-imidazole;morpholine;2,2,2-trifluoroacetic acid is C1COCCN1.Cc1cn(-c2nc(Cl)nc3c(Br)csc23)c(C)n1.Cc1cn(-c2nc(N3CCOCC3)nc3c(Br)csc23)c(C)n1.Cc1cn(-c2nc(N3CCOCC3)nc3c(CN4CCN(C(=O)OC(C)(C)C)CC4)csc23)c(C)n1.Cc1cnc(C)[nH]1.Clc1nc(Cl)c2scc(Br)c2n1.O=C(O)C(F)(F)F.
What is the InChIKey of 7-bromo-2-chloro-4-(2,4-dimethylimidazol-1-yl)thieno[3,2-d]pyrimidine;7-bromo-2,4-dichlorothieno[3,2-d]pyrimidine;4-[7-bromo-4-(2,4-dimethylimidazol-1-yl)thieno[3,2-d]pyrimidin-2-yl]morpholine;tert-butyl 4-[[4-(2,4-dimethylimidazol-1-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazine-1-carboxylate;2,5-dimethyl-1H-imidazole;morpholine;2,2,2-trifluoroacetic acid?
The InChIKey is FOKCEOGGBRSMQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N7O3S.C15H16BrN5OS.C11H8BrClN4S.C6HBrCl2N2S.C5H8N2.C4H9NO.C2HF3O2/c1-17-14-32(18(2)26-17)22-21-20(27-23(28-22)30-10-12-34-13-11-30)19(16-36-21)15-29-6-8-31(9-7-29)24(33)35-25(3,4)5;1-9-7-21(10(2)17-9)14-13-12(11(16)8-23-13)18-15(19-14)20-3-5-22-6-4-20;1-5-3-17(6(2)14-5)10-9-8(7(12)4-18-9)15-11(13)16-10;7-2-1-12-4-3(2)10-6(9)11-5(4)8;1-4-3-6-5(2)7-4;1-3-6-4-2-5-1;3-2(4,5)1(6)7/h14,16H,6-13,15H2,1-5H3;7-8H,3-6H2,1-2H3;3-4H,1-2H3;1H;3H,1-2H3,(H,6,7);5H,1-4H2;(H,6,7).
What are the key properties of 7-bromo-2-chloro-4-(2,4-dimethylimidazol-1-yl)thieno[3,2-d]pyrimidine;7-bromo-2,4-dichlorothieno[3,2-d]pyrimidine;4-[7-bromo-4-(2,4-dimethylimidazol-1-yl)thieno[3,2-d]pyrimidin-2-yl]morpholine;tert-butyl 4-[[4-(2,4-dimethylimidazol-1-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazine-1-carboxylate;2,5-dimethyl-1H-imidazole;morpholine;2,2,2-trifluoroacetic acid?
7-bromo-2-chloro-4-(2,4-dimethylimidazol-1-yl)thieno[3,2-d]pyrimidine;7-bromo-2,4-dichlorothieno[3,2-d]pyrimidine;4-[7-bromo-4-(2,4-dimethylimidazol-1-yl)thieno[3,2-d]pyrimidin-2-yl]morpholine;tert-butyl 4-[[4-(2,4-dimethylimidazol-1-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazine-1-carboxylate;2,5-dimethyl-1H-imidazole;morpholine;2,2,2-trifluoroacetic acid has a molecular weight of 1832.84 g/mol, XLogP of 15.41, 7 rotatable bonds, 3 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-chloro-4-(2,4-dimethylimidazol-1-yl)thieno[3,2-d]pyrimidine;7-bromo-2,4-dichlorothieno[3,2-d]pyrimidine;4-[7-bromo-4-(2,4-dimethylimidazol-1-yl)thieno[3,2-d]pyrimidin-2-yl]morpholine;tert-butyl 4-[[4-(2,4-dimethylimidazol-1-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazine-1-carboxylate;2,5-dimethyl-1H-imidazole;morpholine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 158121260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).