4-(6-chloro-2-methylsulfanylpyrimidin-4-yl)morpholine;4,6-dichloro-2-methylsulfanylpyrimidine;N-[4-methyl-3-(2-methylsulfanyl-6-morpholin-4-ylpyrimidin-4-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(2-methylsulfonyl-6-morpholin-4-ylpyrimidin-4-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxazolidin-2-yl)phenyl]-3-(trifluoromethyl)benzamide;morpholine

C87H94Cl3F9N16O11S4 — CID 159054962

IUPAC4-(6-chloro-2-methylsulfanylpyrimidin-4-yl)morpholine;4,6-dichloro-2-methylsulfanylpyrimidine;N-[4-methyl-3-(2-methylsulfanyl-6-morpholin-4-ylpyrimidin-4-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(2-methylsulfonyl-6-morpholin-4-ylpyrimidin-4-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxazolidin-2-yl)phenyl]-3-(trifluoromethyl)benzamide;morpholine
SMILESC1COCCN1.CSc1nc(-c2cc(NC(=O)c3cccc(C(F)(F)F)c3)ccc2C)cc(N2CCOCC2)n1.CSc1nc(Cl)cc(Cl)n1.CSc1nc(Cl)cc(N2CCOCC2)n1.Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cc(N2CCOCC2)nc(S(C)(=O)=O)n1.Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1N1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C24H23F3N4O4S.C24H23F3N4O2S.C21H23F3N2O3.C9H12ClN3OS.C5H4Cl2N2S.C4H9NO/c1-15-6-7-18(28-22(32)16-4-3-5-17(12-16)24(25,26)27)13-19(15)20-14-21(31-8-10-35-11-9-31)30-23(29-20)36(2,33)34;1-15-6-7-18(28-22(32)16-4-3-5-17(12-16)24(25,26)27)13-19(15)20-14-21(30-23(29-20)34-2)31-8-10-33-11-9-31;1-13-9-10-16(12-17(13)26-28-19(2,3)20(4,5)29-26)25-18(27)14-7-6-8-15(11-14)21(22,23)24;1-15-9-11-7(10)6-8(12-9)13-2-4-14-5-3-13;1-10-5-8-3(6)2-4(7)9-5;1-3-6-4-2-5-1/h3-7,12-14H,8-11H2,1-2H3,(H,28,32);3-7,12-14H,8-11H2,1-2H3,(H,28,32);6-12H,1-5H3,(H,25,27);6H,2-5H2,1H3;2H,1H3;5H,1-4H2
InChIKeyJXSXVMYAQITUFZ-UHFFFAOYSA-N
MW1945.42 g/mol
LogP18.55
Rot. Bonds16

About 4-(6-chloro-2-methylsulfanylpyrimidin-4-yl)morpholine;4,6-dichloro-2-methylsulfanylpyrimidine;N-[4-methyl-3-(2-methylsulfanyl-6-morpholin-4-ylpyrimidin-4-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(2-methylsulfonyl-6-morpholin-4-ylpyrimidin-4-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxazolidin-2-yl)phenyl]-3-(trifluoromethyl)benzamide;morpholine

4-(6-chloro-2-methylsulfanylpyrimidin-4-yl)morpholine;4,6-dichloro-2-methylsulfanylpyrimidine;N-[4-methyl-3-(2-methylsulfanyl-6-morpholin-4-ylpyrimidin-4-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(2-methylsulfonyl-6-morpholin-4-ylpyrimidin-4-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxazolidin-2-yl)phenyl]-3-(trifluoromethyl)benzamide;morpholine (PubChem CID 159054962) has the molecular formula C87H94Cl3F9N16O11S4 and a molecular weight of 1945.42 g/mol. Its IUPAC name is 4-(6-chloro-2-methylsulfanylpyrimidin-4-yl)morpholine;4,6-dichloro-2-methylsulfanylpyrimidine;N-[4-methyl-3-(2-methylsulfanyl-6-morpholin-4-ylpyrimidin-4-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(2-methylsulfonyl-6-morpholin-4-ylpyrimidin-4-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxazolidin-2-yl)phenyl]-3-(trifluoromethyl)benzamide;morpholine.

Molecular Properties

Compound Name4-(6-chloro-2-methylsulfanylpyrimidin-4-yl)morpholine;4,6-dichloro-2-methylsulfanylpyrimidine;N-[4-methyl-3-(2-methylsulfanyl-6-morpholin-4-ylpyrimidin-4-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(2-methylsulfonyl-6-morpholin-4-ylpyrimidin-4-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxazolidin-2-yl)phenyl]-3-(trifluoromethyl)benzamide;morpholine
PubChem CID159054962
Molecular FormulaC87H94Cl3F9N16O11S4
Molecular Weight1945.42 g/mol
Exact Mass1942.51
IUPAC Name4-(6-chloro-2-methylsulfanylpyrimidin-4-yl)morpholine;4,6-dichloro-2-methylsulfanylpyrimidine;N-[4-methyl-3-(2-methylsulfanyl-6-morpholin-4-ylpyrimidin-4-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(2-methylsulfonyl-6-morpholin-4-ylpyrimidin-4-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxazolidin-2-yl)phenyl]-3-(trifluoromethyl)benzamide;morpholine
SMILESC1COCCN1.CSc1nc(-c2cc(NC(=O)c3cccc(C(F)(F)F)c3)ccc2C)cc(N2CCOCC2)n1.CSc1nc(Cl)cc(Cl)n1.CSc1nc(Cl)cc(N2CCOCC2)n1.Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cc(N2CCOCC2)nc(S(C)(=O)=O)n1.Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1N1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C24H23F3N4O4S.C24H23F3N4O2S.C21H23F3N2O3.C9H12ClN3OS.C5H4Cl2N2S.C4H9NO/c1-15-6-7-18(28-22(32)16-4-3-5-17(12-16)24(25,26)27)13-19(15)20-14-21(31-8-10-35-11-9-31)30-23(29-20)36(2,33)34;1-15-6-7-18(28-22(32)16-4-3-5-17(12-16)24(25,26)27)13-19(15)20-14-21(30-23(29-20)34-2)31-8-10-33-11-9-31;1-13-9-10-16(12-17(13)26-28-19(2,3)20(4,5)29-26)25-18(27)14-7-6-8-15(11-14)21(22,23)24;1-15-9-11-7(10)6-8(12-9)13-2-4-14-5-3-13;1-10-5-8-3(6)2-4(7)9-5;1-3-6-4-2-5-1/h3-7,12-14H,8-11H2,1-2H3,(H,28,32);3-7,12-14H,8-11H2,1-2H3,(H,28,32);6-12H,1-5H3,(H,25,27);6H,2-5H2,1H3;2H,1H3;5H,1-4H2
InChIKeyJXSXVMYAQITUFZ-UHFFFAOYSA-N
XLogP18.55
TPSA304.93 Ų
H-Bond Donors4
H-Bond Acceptors27
Rotatable Bonds16
Heavy Atoms130
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001945.42
LogP ≤ 518.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1027

Analyze 4-(6-chloro-2-methylsulfanylpyrimidin-4-yl)morpholine;4,6-dichloro-2-methylsulfanylpyrimidine;N-[4-methyl-3-(2-methylsulfanyl-6-morpholin-4-ylpyrimidin-4-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(2-methylsulfonyl-6-morpholin-4-ylpyrimidin-4-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxazolidin-2-yl)phenyl]-3-(trifluoromethyl)benzamide;morpholine with MolForge

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Related Compounds

N-[3-(6-tert-butyl-2-morpholin-4-ylpyrimidin-4-yl)-4-methylphenyl]-3-(trifluoromethyl)benzamide
CID 138714306
ethane;N-[4-methyl-3-(4-morpholin-4-yl-6-prop-1-en-2-ylpyrimidin-2-yl)phenyl]-3-(trifluoromethyl)benzamide
CID 144717584
N-[4-methyl-3-(5-methyl-2,6-dimorpholin-4-ylpyrimidin-4-yl)phenyl]-3-(trifluoromethyl)benzamide
CID 86296506
N-[5-[2-(azetidin-3-ylamino)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide
CID 90456043
N-[4-methyl-3-(4-morpholin-4-yl-1H-pyrazolo[5,4-d]pyrimidin-6-yl)phenyl]-3-(trifluoromethyl)benzamide
CID 118887175
N-[5-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide
CID 90456804
N-[3-[2-[(4R)-4-hydroxy-2-oxopyrrolidin-1-yl]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide
CID 90456682
N-[3-[(2-chloro-6-morpholin-4-yl-4-pyridinyl)oxymethyl]-5-(4-methoxy-6-morpholin-4-yl-2-pyridinyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide
CID 130178675
N-[4-methyl-3-(5-morpholin-4-yl-3-oxocyclohexa-1,4-dien-1-yl)phenyl]-3-(trifluoromethyl)benzamide
CID 158707927
N-[3-[2-(4-hydroxypiperidin-1-yl)-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide
CID 134609566
N-[3-(2-chloro-6-morpholin-4-yl-4-pyridinyl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;ethane
CID 163255645
N-[3-(1-ethyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide
CID 90407897

Frequently Asked Questions

What is the IUPAC name of 4-(6-chloro-2-methylsulfanylpyrimidin-4-yl)morpholine;4,6-dichloro-2-methylsulfanylpyrimidine;N-[4-methyl-3-(2-methylsulfanyl-6-morpholin-4-ylpyrimidin-4-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(2-methylsulfonyl-6-morpholin-4-ylpyrimidin-4-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxazolidin-2-yl)phenyl]-3-(trifluoromethyl)benzamide;morpholine?
The IUPAC name of 4-(6-chloro-2-methylsulfanylpyrimidin-4-yl)morpholine;4,6-dichloro-2-methylsulfanylpyrimidine;N-[4-methyl-3-(2-methylsulfanyl-6-morpholin-4-ylpyrimidin-4-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(2-methylsulfonyl-6-morpholin-4-ylpyrimidin-4-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxazolidin-2-yl)phenyl]-3-(trifluoromethyl)benzamide;morpholine (CID 159054962) is 4-(6-chloro-2-methylsulfanylpyrimidin-4-yl)morpholine;4,6-dichloro-2-methylsulfanylpyrimidine;N-[4-methyl-3-(2-methylsulfanyl-6-morpholin-4-ylpyrimidin-4-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(2-methylsulfonyl-6-morpholin-4-ylpyrimidin-4-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxazolidin-2-yl)phenyl]-3-(trifluoromethyl)benzamide;morpholine.
What is the SMILES notation for 4-(6-chloro-2-methylsulfanylpyrimidin-4-yl)morpholine;4,6-dichloro-2-methylsulfanylpyrimidine;N-[4-methyl-3-(2-methylsulfanyl-6-morpholin-4-ylpyrimidin-4-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(2-methylsulfonyl-6-morpholin-4-ylpyrimidin-4-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxazolidin-2-yl)phenyl]-3-(trifluoromethyl)benzamide;morpholine?
The canonical SMILES for 4-(6-chloro-2-methylsulfanylpyrimidin-4-yl)morpholine;4,6-dichloro-2-methylsulfanylpyrimidine;N-[4-methyl-3-(2-methylsulfanyl-6-morpholin-4-ylpyrimidin-4-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(2-methylsulfonyl-6-morpholin-4-ylpyrimidin-4-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxazolidin-2-yl)phenyl]-3-(trifluoromethyl)benzamide;morpholine is C1COCCN1.CSc1nc(-c2cc(NC(=O)c3cccc(C(F)(F)F)c3)ccc2C)cc(N2CCOCC2)n1.CSc1nc(Cl)cc(Cl)n1.CSc1nc(Cl)cc(N2CCOCC2)n1.Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cc(N2CCOCC2)nc(S(C)(=O)=O)n1.Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1N1OC(C)(C)C(C)(C)O1.
What is the InChIKey of 4-(6-chloro-2-methylsulfanylpyrimidin-4-yl)morpholine;4,6-dichloro-2-methylsulfanylpyrimidine;N-[4-methyl-3-(2-methylsulfanyl-6-morpholin-4-ylpyrimidin-4-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(2-methylsulfonyl-6-morpholin-4-ylpyrimidin-4-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxazolidin-2-yl)phenyl]-3-(trifluoromethyl)benzamide;morpholine?
The InChIKey is JXSXVMYAQITUFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N4O4S.C24H23F3N4O2S.C21H23F3N2O3.C9H12ClN3OS.C5H4Cl2N2S.C4H9NO/c1-15-6-7-18(28-22(32)16-4-3-5-17(12-16)24(25,26)27)13-19(15)20-14-21(31-8-10-35-11-9-31)30-23(29-20)36(2,33)34;1-15-6-7-18(28-22(32)16-4-3-5-17(12-16)24(25,26)27)13-19(15)20-14-21(30-23(29-20)34-2)31-8-10-33-11-9-31;1-13-9-10-16(12-17(13)26-28-19(2,3)20(4,5)29-26)25-18(27)14-7-6-8-15(11-14)21(22,23)24;1-15-9-11-7(10)6-8(12-9)13-2-4-14-5-3-13;1-10-5-8-3(6)2-4(7)9-5;1-3-6-4-2-5-1/h3-7,12-14H,8-11H2,1-2H3,(H,28,32);3-7,12-14H,8-11H2,1-2H3,(H,28,32);6-12H,1-5H3,(H,25,27);6H,2-5H2,1H3;2H,1H3;5H,1-4H2.
What are the key properties of 4-(6-chloro-2-methylsulfanylpyrimidin-4-yl)morpholine;4,6-dichloro-2-methylsulfanylpyrimidine;N-[4-methyl-3-(2-methylsulfanyl-6-morpholin-4-ylpyrimidin-4-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(2-methylsulfonyl-6-morpholin-4-ylpyrimidin-4-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxazolidin-2-yl)phenyl]-3-(trifluoromethyl)benzamide;morpholine?
4-(6-chloro-2-methylsulfanylpyrimidin-4-yl)morpholine;4,6-dichloro-2-methylsulfanylpyrimidine;N-[4-methyl-3-(2-methylsulfanyl-6-morpholin-4-ylpyrimidin-4-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(2-methylsulfonyl-6-morpholin-4-ylpyrimidin-4-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxazolidin-2-yl)phenyl]-3-(trifluoromethyl)benzamide;morpholine has a molecular weight of 1945.42 g/mol, XLogP of 18.55, 16 rotatable bonds, 4 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-chloro-2-methylsulfanylpyrimidin-4-yl)morpholine;4,6-dichloro-2-methylsulfanylpyrimidine;N-[4-methyl-3-(2-methylsulfanyl-6-morpholin-4-ylpyrimidin-4-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(2-methylsulfonyl-6-morpholin-4-ylpyrimidin-4-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxazolidin-2-yl)phenyl]-3-(trifluoromethyl)benzamide;morpholine is sourced from PubChem (CID 159054962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).