tert-butyl N-[6-(1H-indol-4-yl)-2-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[2-[(3R)-3-methylmorpholin-4-yl]-6-[1-(4-methylphenyl)sulfonylindol-4-yl]pyrimidin-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;carbanide;(3R)-4-[4-(3,5-dimethyl-1,2,4-triazol-4-yl)-6-(1H-indol-4-yl)pyrimidin-2-yl]-3-methylmorpholine;(3R)-4-[4-(3,5-dimethyl-1,2,4-triazol-4-yl)-6-[1-(4-methylphenyl)sulfonylindol-4-yl]pyrimidin-2-yl]-3-methylmorpholine;methane;2-[(3R)-3-methylmorpholin-4-yl]-6-[1-(4-methylphenyl)sulfonylindol-4-yl]pyrimidin-4-amine;tungsten

C139H172N29O19S3W- — CID 160975565

About tert-butyl N-[6-(1H-indol-4-yl)-2-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[2-[(3R)-3-methylmorpholin-4-yl]-6-[1-(4-methylphenyl)sulfonylindol-4-yl]pyrimidin-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;carbanide;(3R)-4-[4-(3,5-dimethyl-1,2,4-triazol-4-yl)-6-(1H-indol-4-yl)pyrimidin-2-yl]-3-methylmorpholine;(3R)-4-[4-(3,5-dimethyl-1,2,4-triazol-4-yl)-6-[1-(4-methylphenyl)sulfonylindol-4-yl]pyrimidin-2-yl]-3-methylmorpholine;methane;2-[(3R)-3-methylmorpholin-4-yl]-6-[1-(4-methylphenyl)sulfonylindol-4-yl]pyrimidin-4-amine;tungsten

tert-butyl N-[6-(1H-indol-4-yl)-2-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[2-[(3R)-3-methylmorpholin-4-yl]-6-[1-(4-methylphenyl)sulfonylindol-4-yl]pyrimidin-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;carbanide;(3R)-4-[4-(3,5-dimethyl-1,2,4-triazol-4-yl)-6-(1H-indol-4-yl)pyrimidin-2-yl]-3-methylmorpholine;(3R)-4-[4-(3,5-dimethyl-1,2,4-triazol-4-yl)-6-[1-(4-methylphenyl)sulfonylindol-4-yl]pyrimidin-2-yl]-3-methylmorpholine;methane;2-[(3R)-3-methylmorpholin-4-yl]-6-[1-(4-methylphenyl)sulfonylindol-4-yl]pyrimidin-4-amine;tungsten (PubChem CID 160975565) has the molecular formula C139H172N29O19S3W- and a molecular weight of 2833.13 g/mol. Its IUPAC name is tert-butyl N-[6-(1H-indol-4-yl)-2-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[2-[(3R)-3-methylmorpholin-4-yl]-6-[1-(4-methylphenyl)sulfonylindol-4-yl]pyrimidin-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;carbanide;(3R)-4-[4-(3,5-dimethyl-1,2,4-triazol-4-yl)-6-(1H-indol-4-yl)pyrimidin-2-yl]-3-methylmorpholine;(3R)-4-[4-(3,5-dimethyl-1,2,4-triazol-4-yl)-6-[1-(4-methylphenyl)sulfonylindol-4-yl]pyrimidin-2-yl]-3-methylmorpholine;methane;2-[(3R)-3-methylmorpholin-4-yl]-6-[1-(4-methylphenyl)sulfonylindol-4-yl]pyrimidin-4-amine;tungsten.

Molecular Properties

• Compound Name: tert-butyl N-[6-(1H-indol-4-yl)-2-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[2-[(3R)-3-methylmorpholin-4-yl]-6-[1-(4-methylphenyl)sulfonylindol-4-yl]pyrimidin-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;carbanide;(3R)-4-[4-(3,5-dimethyl-1,2,4-triazol-4-yl)-6-(1H-indol-4-yl)pyrimidin-2-yl]-3-methylmorpholine;(3R)-4-[4-(3,5-dimethyl-1,2,4-triazol-4-yl)-6-[1-(4-methylphenyl)sulfonylindol-4-yl]pyrimidin-2-yl]-3-methylmorpholine;methane;2-[(3R)-3-methylmorpholin-4-yl]-6-[1-(4-methylphenyl)sulfonylindol-4-yl]pyrimidin-4-amine;tungsten
• PubChem CID: 160975565
• Molecular Formula: C139H172N29O19S3W-
• Molecular Weight: 2833.13 g/mol
• Exact Mass: 2831.21
• IUPAC Name: tert-butyl N-[6-(1H-indol-4-yl)-2-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[2-[(3R)-3-methylmorpholin-4-yl]-6-[1-(4-methylphenyl)sulfonylindol-4-yl]pyrimidin-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;carbanide;(3R)-4-[4-(3,5-dimethyl-1,2,4-triazol-4-yl)-6-(1H-indol-4-yl)pyrimidin-2-yl]-3-methylmorpholine;(3R)-4-[4-(3,5-dimethyl-1,2,4-triazol-4-yl)-6-[1-(4-methylphenyl)sulfonylindol-4-yl]pyrimidin-2-yl]-3-methylmorpholine;methane;2-[(3R)-3-methylmorpholin-4-yl]-6-[1-(4-methylphenyl)sulfonylindol-4-yl]pyrimidin-4-amine;tungsten
• SMILES: C.C.C.C.C[C@@H]1COCCN1c1nc(-c2cccc3[nH]ccc23)cc(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)n1.Cc1ccc(S(=O)(=O)n2ccc3c(-c4cc(-n5c(C)nnc5C)nc(N5CCOC[C@H]5C)n4)cccc32)cc1.Cc1ccc(S(=O)(=O)n2ccc3c(-c4cc(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)nc(N5CCOC[C@H]5C)n4)cccc32)cc1.Cc1ccc(S(=O)(=O)n2ccc3c(-c4cc(N)nc(N5CCOC[C@H]5C)n4)cccc32)cc1.Cc1nnc(C)n1-c1cc(-c2cccc3[nH]ccc23)nc(N2CCOC[C@H]2C)n1.[CH3-].[W]
• InChI: InChI=1S/C34H41N5O7S.C28H29N7O3S.C27H35N5O5.C24H25N5O3S.C21H23N7O.4CH4.CH3.W/c1-22-12-14-24(15-13-22)47(42,43)38-17-16-26-25(10-9-11-28(26)38)27-20-29(36-30(35-27)37-18-19-44-21-23(37)2)39(31(40)45-33(3,4)5)32(41)46-34(6,7)8;1-18-8-10-22(11-9-18)39(36,37)34-13-12-24-23(6-5-7-26(24)34)25-16-27(35-20(3)31-32-21(35)4)30-28(29-25)33-14-15-38-17-19(33)2;1-17-16-35-14-13-31(17)23-29-21(18-9-8-10-20-19(18)11-12-28-20)15-22(30-23)32(24(33)36-26(2,3)4)25(34)37-27(5,6)7;1-16-6-8-18(9-7-16)33(30,31)29-11-10-20-19(4-3-5-22(20)29)21-14-23(25)27-24(26-21)28-12-13-32-15-17(28)2;1-13-12-29-10-9-27(13)21-23-19(16-5-4-6-18-17(16)7-8-22-18)11-20(24-21)28-14(2)25-26-15(28)3;;;;;;/h9-17,20,23H,18-19,21H2,1-8H3;5-13,16,19H,14-15,17H2,1-4H3;8-12,15,17,28H,13-14,16H2,1-7H3;3-11,14,17H,12-13,15H2,1-2H3,(H2,25,26,27);4-8,11,13,22H,9-10,12H2,1-3H3;4*1H4;1H3;/q;;;;;;;;;-1;/t23-;19-;2*17-;13-;;;;;;/m11111....../s1
• InChIKey: ZMOXXNMTDBXPGL-AXJDICMCSA-N
• XLogP: 25.63
• TPSA: 539.16 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 44
• Rotatable Bonds: 20
• Heavy Atoms: 191
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2833.13
LogP ≤ 5	25.63
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	44

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[6-(1H-indol-4-yl)-2-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[2-[(3R)-3-methylmorpholin-4-yl]-6-[1-(4-methylphenyl)sulfonylindol-4-yl]pyrimidin-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;carbanide;(3R)-4-[4-(3,5-dimethyl-1,2,4-triazol-4-yl)-6-(1H-indol-4-yl)pyrimidin-2-yl]-3-methylmorpholine;(3R)-4-[4-(3,5-dimethyl-1,2,4-triazol-4-yl)-6-[1-(4-methylphenyl)sulfonylindol-4-yl]pyrimidin-2-yl]-3-methylmorpholine;methane;2-[(3R)-3-methylmorpholin-4-yl]-6-[1-(4-methylphenyl)sulfonylindol-4-yl]pyrimidin-4-amine;tungsten?

The IUPAC name of tert-butyl N-[6-(1H-indol-4-yl)-2-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[2-[(3R)-3-methylmorpholin-4-yl]-6-[1-(4-methylphenyl)sulfonylindol-4-yl]pyrimidin-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;carbanide;(3R)-4-[4-(3,5-dimethyl-1,2,4-triazol-4-yl)-6-(1H-indol-4-yl)pyrimidin-2-yl]-3-methylmorpholine;(3R)-4-[4-(3,5-dimethyl-1,2,4-triazol-4-yl)-6-[1-(4-methylphenyl)sulfonylindol-4-yl]pyrimidin-2-yl]-3-methylmorpholine;methane;2-[(3R)-3-methylmorpholin-4-yl]-6-[1-(4-methylphenyl)sulfonylindol-4-yl]pyrimidin-4-amine;tungsten (CID 160975565) is tert-butyl N-[6-(1H-indol-4-yl)-2-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[2-[(3R)-3-methylmorpholin-4-yl]-6-[1-(4-methylphenyl)sulfonylindol-4-yl]pyrimidin-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;carbanide;(3R)-4-[4-(3,5-dimethyl-1,2,4-triazol-4-yl)-6-(1H-indol-4-yl)pyrimidin-2-yl]-3-methylmorpholine;(3R)-4-[4-(3,5-dimethyl-1,2,4-triazol-4-yl)-6-[1-(4-methylphenyl)sulfonylindol-4-yl]pyrimidin-2-yl]-3-methylmorpholine;methane;2-[(3R)-3-methylmorpholin-4-yl]-6-[1-(4-methylphenyl)sulfonylindol-4-yl]pyrimidin-4-amine;tungsten.

What is the SMILES notation for tert-butyl N-[6-(1H-indol-4-yl)-2-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[2-[(3R)-3-methylmorpholin-4-yl]-6-[1-(4-methylphenyl)sulfonylindol-4-yl]pyrimidin-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;carbanide;(3R)-4-[4-(3,5-dimethyl-1,2,4-triazol-4-yl)-6-(1H-indol-4-yl)pyrimidin-2-yl]-3-methylmorpholine;(3R)-4-[4-(3,5-dimethyl-1,2,4-triazol-4-yl)-6-[1-(4-methylphenyl)sulfonylindol-4-yl]pyrimidin-2-yl]-3-methylmorpholine;methane;2-[(3R)-3-methylmorpholin-4-yl]-6-[1-(4-methylphenyl)sulfonylindol-4-yl]pyrimidin-4-amine;tungsten?

The canonical SMILES for tert-butyl N-[6-(1H-indol-4-yl)-2-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[2-[(3R)-3-methylmorpholin-4-yl]-6-[1-(4-methylphenyl)sulfonylindol-4-yl]pyrimidin-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;carbanide;(3R)-4-[4-(3,5-dimethyl-1,2,4-triazol-4-yl)-6-(1H-indol-4-yl)pyrimidin-2-yl]-3-methylmorpholine;(3R)-4-[4-(3,5-dimethyl-1,2,4-triazol-4-yl)-6-[1-(4-methylphenyl)sulfonylindol-4-yl]pyrimidin-2-yl]-3-methylmorpholine;methane;2-[(3R)-3-methylmorpholin-4-yl]-6-[1-(4-methylphenyl)sulfonylindol-4-yl]pyrimidin-4-amine;tungsten is C.C.C.C.C[C@@H]1COCCN1c1nc(-c2cccc3[nH]ccc23)cc(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)n1.Cc1ccc(S(=O)(=O)n2ccc3c(-c4cc(-n5c(C)nnc5C)nc(N5CCOC[C@H]5C)n4)cccc32)cc1.Cc1ccc(S(=O)(=O)n2ccc3c(-c4cc(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)nc(N5CCOC[C@H]5C)n4)cccc32)cc1.Cc1ccc(S(=O)(=O)n2ccc3c(-c4cc(N)nc(N5CCOC[C@H]5C)n4)cccc32)cc1.Cc1nnc(C)n1-c1cc(-c2cccc3[nH]ccc23)nc(N2CCOC[C@H]2C)n1.[CH3-].[W].

What is the InChIKey of tert-butyl N-[6-(1H-indol-4-yl)-2-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[2-[(3R)-3-methylmorpholin-4-yl]-6-[1-(4-methylphenyl)sulfonylindol-4-yl]pyrimidin-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;carbanide;(3R)-4-[4-(3,5-dimethyl-1,2,4-triazol-4-yl)-6-(1H-indol-4-yl)pyrimidin-2-yl]-3-methylmorpholine;(3R)-4-[4-(3,5-dimethyl-1,2,4-triazol-4-yl)-6-[1-(4-methylphenyl)sulfonylindol-4-yl]pyrimidin-2-yl]-3-methylmorpholine;methane;2-[(3R)-3-methylmorpholin-4-yl]-6-[1-(4-methylphenyl)sulfonylindol-4-yl]pyrimidin-4-amine;tungsten?

The InChIKey is ZMOXXNMTDBXPGL-AXJDICMCSA-N. The full InChI is InChI=1S/C34H41N5O7S.C28H29N7O3S.C27H35N5O5.C24H25N5O3S.C21H23N7O.4CH4.CH3.W/c1-22-12-14-24(15-13-22)47(42,43)38-17-16-26-25(10-9-11-28(26)38)27-20-29(36-30(35-27)37-18-19-44-21-23(37)2)39(31(40)45-33(3,4)5)32(41)46-34(6,7)8;1-18-8-10-22(11-9-18)39(36,37)34-13-12-24-23(6-5-7-26(24)34)25-16-27(35-20(3)31-32-21(35)4)30-28(29-25)33-14-15-38-17-19(33)2;1-17-16-35-14-13-31(17)23-29-21(18-9-8-10-20-19(18)11-12-28-20)15-22(30-23)32(24(33)36-26(2,3)4)25(34)37-27(5,6)7;1-16-6-8-18(9-7-16)33(30,31)29-11-10-20-19(4-3-5-22(20)29)21-14-23(25)27-24(26-21)28-12-13-32-15-17(28)2;1-13-12-29-10-9-27(13)21-23-19(16-5-4-6-18-17(16)7-8-22-18)11-20(24-21)28-14(2)25-26-15(28)3;;;;;;/h9-17,20,23H,18-19,21H2,1-8H3;5-13,16,19H,14-15,17H2,1-4H3;8-12,15,17,28H,13-14,16H2,1-7H3;3-11,14,17H,12-13,15H2,1-2H3,(H2,25,26,27);4-8,11,13,22H,9-10,12H2,1-3H3;4*1H4;1H3;/q;;;;;;;;;-1;/t23-;19-;2*17-;13-;;;;;;/m11111....../s1.

What are the key properties of tert-butyl N-[6-(1H-indol-4-yl)-2-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[2-[(3R)-3-methylmorpholin-4-yl]-6-[1-(4-methylphenyl)sulfonylindol-4-yl]pyrimidin-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;carbanide;(3R)-4-[4-(3,5-dimethyl-1,2,4-triazol-4-yl)-6-(1H-indol-4-yl)pyrimidin-2-yl]-3-methylmorpholine;(3R)-4-[4-(3,5-dimethyl-1,2,4-triazol-4-yl)-6-[1-(4-methylphenyl)sulfonylindol-4-yl]pyrimidin-2-yl]-3-methylmorpholine;methane;2-[(3R)-3-methylmorpholin-4-yl]-6-[1-(4-methylphenyl)sulfonylindol-4-yl]pyrimidin-4-amine;tungsten?

tert-butyl N-[6-(1H-indol-4-yl)-2-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[2-[(3R)-3-methylmorpholin-4-yl]-6-[1-(4-methylphenyl)sulfonylindol-4-yl]pyrimidin-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;carbanide;(3R)-4-[4-(3,5-dimethyl-1,2,4-triazol-4-yl)-6-(1H-indol-4-yl)pyrimidin-2-yl]-3-methylmorpholine;(3R)-4-[4-(3,5-dimethyl-1,2,4-triazol-4-yl)-6-[1-(4-methylphenyl)sulfonylindol-4-yl]pyrimidin-2-yl]-3-methylmorpholine;methane;2-[(3R)-3-methylmorpholin-4-yl]-6-[1-(4-methylphenyl)sulfonylindol-4-yl]pyrimidin-4-amine;tungsten has a molecular weight of 2833.13 g/mol, XLogP of 25.63, 20 rotatable bonds, 3 hydrogen bond donors, and 44 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[6-(1H-indol-4-yl)-2-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[2-[(3R)-3-methylmorpholin-4-yl]-6-[1-(4-methylphenyl)sulfonylindol-4-yl]pyrimidin-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;carbanide;(3R)-4-[4-(3,5-dimethyl-1,2,4-triazol-4-yl)-6-(1H-indol-4-yl)pyrimidin-2-yl]-3-methylmorpholine;(3R)-4-[4-(3,5-dimethyl-1,2,4-triazol-4-yl)-6-[1-(4-methylphenyl)sulfonylindol-4-yl]pyrimidin-2-yl]-3-methylmorpholine;methane;2-[(3R)-3-methylmorpholin-4-yl]-6-[1-(4-methylphenyl)sulfonylindol-4-yl]pyrimidin-4-amine;tungsten is sourced from PubChem (CID 160975565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).