bis(4-(2-chlorothieno[3,2-d]pyrimidin-4-yl)morpholine);2,4-dichlorothieno[3,2-d]pyrimidine;N-[4-methyl-3-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(trifluoromethyl)benzamide;morpholine

C76H75BCl4F6N14O8S4 — CID 159944068

IUPACbis(4-(2-chlorothieno[3,2-d]pyrimidin-4-yl)morpholine);2,4-dichlorothieno[3,2-d]pyrimidine;N-[4-methyl-3-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(trifluoromethyl)benzamide;morpholine
SMILESC1COCCN1.Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1nc(N2CCOCC2)c2sccc2n1.Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1B1OC(C)(C)C(C)(C)O1.Clc1nc(Cl)c2sccc2n1.Clc1nc(N2CCOCC2)c2sccc2n1.Clc1nc(N2CCOCC2)c2sccc2n1
InChIInChI=1S/C25H21F3N4O2S.C21H23BF3NO3.2C10H10ClN3OS.C6H2Cl2N2S.C4H9NO/c1-15-5-6-18(29-24(33)16-3-2-4-17(13-16)25(26,27)28)14-19(15)22-30-20-7-12-35-21(20)23(31-22)32-8-10-34-11-9-32;1-13-9-10-16(12-17(13)22-28-19(2,3)20(4,5)29-22)26-18(27)14-7-6-8-15(11-14)21(23,24)25;2*11-10-12-7-1-6-16-8(7)9(13-10)14-2-4-15-5-3-14;7-5-4-3(1-2-11-4)9-6(8)10-5;1-3-6-4-2-5-1/h2-7,12-14H,8-11H2,1H3,(H,29,33);6-12H,1-5H3,(H,26,27);2*1,6H,2-5H2;1-2H;5H,1-4H2
InChIKeyOBGLTUFXMFCPBD-UHFFFAOYSA-N
MW1707.41 g/mol
LogP17.31
Rot. Bonds9

About bis(4-(2-chlorothieno[3,2-d]pyrimidin-4-yl)morpholine);2,4-dichlorothieno[3,2-d]pyrimidine;N-[4-methyl-3-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(trifluoromethyl)benzamide;morpholine

bis(4-(2-chlorothieno[3,2-d]pyrimidin-4-yl)morpholine);2,4-dichlorothieno[3,2-d]pyrimidine;N-[4-methyl-3-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(trifluoromethyl)benzamide;morpholine (PubChem CID 159944068) has the molecular formula C76H75BCl4F6N14O8S4 and a molecular weight of 1707.41 g/mol. Its IUPAC name is bis(4-(2-chlorothieno[3,2-d]pyrimidin-4-yl)morpholine);2,4-dichlorothieno[3,2-d]pyrimidine;N-[4-methyl-3-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(trifluoromethyl)benzamide;morpholine.

Molecular Properties

Compound Namebis(4-(2-chlorothieno[3,2-d]pyrimidin-4-yl)morpholine);2,4-dichlorothieno[3,2-d]pyrimidine;N-[4-methyl-3-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(trifluoromethyl)benzamide;morpholine
PubChem CID159944068
Molecular FormulaC76H75BCl4F6N14O8S4
Molecular Weight1707.41 g/mol
Exact Mass1704.35
IUPAC Namebis(4-(2-chlorothieno[3,2-d]pyrimidin-4-yl)morpholine);2,4-dichlorothieno[3,2-d]pyrimidine;N-[4-methyl-3-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(trifluoromethyl)benzamide;morpholine
SMILESC1COCCN1.Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1nc(N2CCOCC2)c2sccc2n1.Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1B1OC(C)(C)C(C)(C)O1.Clc1nc(Cl)c2sccc2n1.Clc1nc(N2CCOCC2)c2sccc2n1.Clc1nc(N2CCOCC2)c2sccc2n1
InChIInChI=1S/C25H21F3N4O2S.C21H23BF3NO3.2C10H10ClN3OS.C6H2Cl2N2S.C4H9NO/c1-15-5-6-18(29-24(33)16-3-2-4-17(13-16)25(26,27)28)14-19(15)22-30-20-7-12-35-21(20)23(31-22)32-8-10-34-11-9-32;1-13-9-10-16(12-17(13)22-28-19(2,3)20(4,5)29-22)26-18(27)14-7-6-8-15(11-14)21(23,24)25;2*11-10-12-7-1-6-16-8(7)9(13-10)14-2-4-15-5-3-14;7-5-4-3(1-2-11-4)9-6(8)10-5;1-3-6-4-2-5-1/h2-7,12-14H,8-11H2,1H3,(H,29,33);6-12H,1-5H3,(H,26,27);2*1,6H,2-5H2;1-2H;5H,1-4H2
InChIKeyOBGLTUFXMFCPBD-UHFFFAOYSA-N
XLogP17.31
TPSA238.45 Ų
H-Bond Donors3
H-Bond Acceptors24
Rotatable Bonds9
Heavy Atoms113
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001707.41
LogP ≤ 517.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

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

Analyze bis(4-(2-chlorothieno[3,2-d]pyrimidin-4-yl)morpholine);2,4-dichlorothieno[3,2-d]pyrimidine;N-[4-methyl-3-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(trifluoromethyl)benzamide;morpholine with MolForge

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Related Compounds

bis(4-(5-chloro-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)morpholine);5,7-dichloro-[1,3]thiazolo[5,4-d]pyrimidine;N-[4-methyl-3-(7-morpholin-4-yl-[1,3]thiazolo[5,4-d]pyrimidin-5-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(trifluoromethyl)benzamide;morpholine
CID 157644423
4-(2-chloro-6-prop-1-en-2-ylpyrimidin-4-yl)morpholine;4-(4-chloro-6-prop-1-en-2-ylpyrimidin-2-yl)morpholine;2,4-dichloro-6-prop-1-en-2-ylpyrimidine;4,6-dichloro-2-prop-1-en-2-ylpyrimidine;N-[4-methyl-3-(2-morpholin-4-yl-6-prop-1-en-2-ylpyrimidin-4-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4-morpholin-4-yl-6-prop-1-en-2-ylpyrimidin-2-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(trifluoromethyl)benzamide;oxane;4,4,5,5-tetramethyl-2-prop-1-en-2-yl-1,3,2-dioxaborolane;2,4,6-trichloropyrimidine
CID 158449221
2-(3-aminophenyl)-1-[3-(trifluoromethyl)phenyl]ethanone;2-chloro-N-cyclopropylthieno[3,2-d]pyrimidin-4-amine;cyclopropanamine;N-[3-[[4-(cyclopropylamino)thieno[3,2-d]pyrimidin-2-yl]methyl]phenyl]-3-methylbenzamide;2,4-dichlorothieno[3,2-d]pyrimidine
CID 161736762
4-(2-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)morpholine;bis(N-[4-methyl-3-(4-morpholin-4-yl-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)phenyl]-3-(trifluoromethyl)benzamide);N-[4-methyl-3-(4-morpholin-4-yl-5,5-dioxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(trifluoromethyl)benzamide
CID 161993089
4-(2-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)morpholine;2,4-dichloro-6,7-dihydrothieno[3,2-d]pyrimidine;3-(difluoromethyl)benzoic acid;bis(3-(difluoromethyl)-N-[4-methyl-3-(4-morpholin-4-yl-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)phenyl]benzamide);3-(difluoromethyl)-N-[4-methyl-3-(4-morpholin-4-yl-5,5-dioxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)phenyl]benzamide;bis(4-methyl-3-(4-morpholin-4-yl-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)aniline);4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;morpholine
CID 159141645
2-chloro-4-(7-fluoro-1H-inden-4-yl)thieno[3,2-d]pyrimidine;2,4-dichlorothieno[3,2-d]pyrimidine;2-(7-fluoro-1H-inden-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;4-[4-(7-fluoro-1H-inden-4-yl)thieno[3,2-d]pyrimidin-2-yl]morpholine;morpholine
CID 160144883
4-(2-chlorothieno[3,2-d]pyrimidin-4-yl)morpholine;2-(2-cyanopropan-2-yl)-N-[4-methyl-3-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine-4-carboxamide
CID 161982760

Frequently Asked Questions

What is the IUPAC name of bis(4-(2-chlorothieno[3,2-d]pyrimidin-4-yl)morpholine);2,4-dichlorothieno[3,2-d]pyrimidine;N-[4-methyl-3-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(trifluoromethyl)benzamide;morpholine?
The IUPAC name of bis(4-(2-chlorothieno[3,2-d]pyrimidin-4-yl)morpholine);2,4-dichlorothieno[3,2-d]pyrimidine;N-[4-methyl-3-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(trifluoromethyl)benzamide;morpholine (CID 159944068) is bis(4-(2-chlorothieno[3,2-d]pyrimidin-4-yl)morpholine);2,4-dichlorothieno[3,2-d]pyrimidine;N-[4-methyl-3-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(trifluoromethyl)benzamide;morpholine.
What is the SMILES notation for bis(4-(2-chlorothieno[3,2-d]pyrimidin-4-yl)morpholine);2,4-dichlorothieno[3,2-d]pyrimidine;N-[4-methyl-3-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(trifluoromethyl)benzamide;morpholine?
The canonical SMILES for bis(4-(2-chlorothieno[3,2-d]pyrimidin-4-yl)morpholine);2,4-dichlorothieno[3,2-d]pyrimidine;N-[4-methyl-3-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(trifluoromethyl)benzamide;morpholine is C1COCCN1.Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1nc(N2CCOCC2)c2sccc2n1.Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1B1OC(C)(C)C(C)(C)O1.Clc1nc(Cl)c2sccc2n1.Clc1nc(N2CCOCC2)c2sccc2n1.Clc1nc(N2CCOCC2)c2sccc2n1.
What is the InChIKey of bis(4-(2-chlorothieno[3,2-d]pyrimidin-4-yl)morpholine);2,4-dichlorothieno[3,2-d]pyrimidine;N-[4-methyl-3-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(trifluoromethyl)benzamide;morpholine?
The InChIKey is OBGLTUFXMFCPBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F3N4O2S.C21H23BF3NO3.2C10H10ClN3OS.C6H2Cl2N2S.C4H9NO/c1-15-5-6-18(29-24(33)16-3-2-4-17(13-16)25(26,27)28)14-19(15)22-30-20-7-12-35-21(20)23(31-22)32-8-10-34-11-9-32;1-13-9-10-16(12-17(13)22-28-19(2,3)20(4,5)29-22)26-18(27)14-7-6-8-15(11-14)21(23,24)25;2*11-10-12-7-1-6-16-8(7)9(13-10)14-2-4-15-5-3-14;7-5-4-3(1-2-11-4)9-6(8)10-5;1-3-6-4-2-5-1/h2-7,12-14H,8-11H2,1H3,(H,29,33);6-12H,1-5H3,(H,26,27);2*1,6H,2-5H2;1-2H;5H,1-4H2.
What are the key properties of bis(4-(2-chlorothieno[3,2-d]pyrimidin-4-yl)morpholine);2,4-dichlorothieno[3,2-d]pyrimidine;N-[4-methyl-3-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(trifluoromethyl)benzamide;morpholine?
bis(4-(2-chlorothieno[3,2-d]pyrimidin-4-yl)morpholine);2,4-dichlorothieno[3,2-d]pyrimidine;N-[4-methyl-3-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(trifluoromethyl)benzamide;morpholine has a molecular weight of 1707.41 g/mol, XLogP of 17.31, 9 rotatable bonds, 3 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-(2-chlorothieno[3,2-d]pyrimidin-4-yl)morpholine);2,4-dichlorothieno[3,2-d]pyrimidine;N-[4-methyl-3-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(trifluoromethyl)benzamide;morpholine is sourced from PubChem (CID 159944068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).