6-[2-(2-chloroanilino)pyrimidin-5-yl]-1,3-dihydroindol-2-one;6-[2-(2-fluoroanilino)pyrimidin-5-yl]-1,3-dihydroindol-2-one;6-[2-[[3-(2-methoxyethoxy)phenyl]methylamino]pyrimidin-5-yl]-1,3-dihydroindol-2-one;bis(6-[2-(3-methylanilino)pyrimidin-5-yl]-1,3-dihydroindol-2-one);6-[2-(4-methylanilino)pyrimidin-5-yl]-1,3-dihydroindol-2-one;6-[2-(3-phenylpropylamino)pyrimidin-5-yl]-1,3-dihydroindol-2-one

C136H116ClFN28O9 — CID 163947241

About 6-[2-(2-chloroanilino)pyrimidin-5-yl]-1,3-dihydroindol-2-one;6-[2-(2-fluoroanilino)pyrimidin-5-yl]-1,3-dihydroindol-2-one;6-[2-[[3-(2-methoxyethoxy)phenyl]methylamino]pyrimidin-5-yl]-1,3-dihydroindol-2-one;bis(6-[2-(3-methylanilino)pyrimidin-5-yl]-1,3-dihydroindol-2-one);6-[2-(4-methylanilino)pyrimidin-5-yl]-1,3-dihydroindol-2-one;6-[2-(3-phenylpropylamino)pyrimidin-5-yl]-1,3-dihydroindol-2-one

6-[2-(2-chloroanilino)pyrimidin-5-yl]-1,3-dihydroindol-2-one;6-[2-(2-fluoroanilino)pyrimidin-5-yl]-1,3-dihydroindol-2-one;6-[2-[[3-(2-methoxyethoxy)phenyl]methylamino]pyrimidin-5-yl]-1,3-dihydroindol-2-one;bis(6-[2-(3-methylanilino)pyrimidin-5-yl]-1,3-dihydroindol-2-one);6-[2-(4-methylanilino)pyrimidin-5-yl]-1,3-dihydroindol-2-one;6-[2-(3-phenylpropylamino)pyrimidin-5-yl]-1,3-dihydroindol-2-one (PubChem CID 163947241) has the molecular formula C136H116ClFN28O9 and a molecular weight of 2341.06 g/mol. Its IUPAC name is 6-[2-(2-chloroanilino)pyrimidin-5-yl]-1,3-dihydroindol-2-one;6-[2-(2-fluoroanilino)pyrimidin-5-yl]-1,3-dihydroindol-2-one;6-[2-[[3-(2-methoxyethoxy)phenyl]methylamino]pyrimidin-5-yl]-1,3-dihydroindol-2-one;bis(6-[2-(3-methylanilino)pyrimidin-5-yl]-1,3-dihydroindol-2-one);6-[2-(4-methylanilino)pyrimidin-5-yl]-1,3-dihydroindol-2-one;6-[2-(3-phenylpropylamino)pyrimidin-5-yl]-1,3-dihydroindol-2-one.

Molecular Properties

• Compound Name: 6-[2-(2-chloroanilino)pyrimidin-5-yl]-1,3-dihydroindol-2-one;6-[2-(2-fluoroanilino)pyrimidin-5-yl]-1,3-dihydroindol-2-one;6-[2-[[3-(2-methoxyethoxy)phenyl]methylamino]pyrimidin-5-yl]-1,3-dihydroindol-2-one;bis(6-[2-(3-methylanilino)pyrimidin-5-yl]-1,3-dihydroindol-2-one);6-[2-(4-methylanilino)pyrimidin-5-yl]-1,3-dihydroindol-2-one;6-[2-(3-phenylpropylamino)pyrimidin-5-yl]-1,3-dihydroindol-2-one
• PubChem CID: 163947241
• Molecular Formula: C136H116ClFN28O9
• Molecular Weight: 2341.06 g/mol
• Exact Mass: 2338.92
• IUPAC Name: 6-[2-(2-chloroanilino)pyrimidin-5-yl]-1,3-dihydroindol-2-one;6-[2-(2-fluoroanilino)pyrimidin-5-yl]-1,3-dihydroindol-2-one;6-[2-[[3-(2-methoxyethoxy)phenyl]methylamino]pyrimidin-5-yl]-1,3-dihydroindol-2-one;bis(6-[2-(3-methylanilino)pyrimidin-5-yl]-1,3-dihydroindol-2-one);6-[2-(4-methylanilino)pyrimidin-5-yl]-1,3-dihydroindol-2-one;6-[2-(3-phenylpropylamino)pyrimidin-5-yl]-1,3-dihydroindol-2-one
• SMILES: COCCOc1cccc(CNc2ncc(-c3ccc4c(c3)NC(=O)C4)cn2)c1.Cc1ccc(Nc2ncc(-c3ccc4c(c3)NC(=O)C4)cn2)cc1.Cc1cccc(Nc2ncc(-c3ccc4c(c3)NC(=O)C4)cn2)c1.Cc1cccc(Nc2ncc(-c3ccc4c(c3)NC(=O)C4)cn2)c1.O=C1Cc2ccc(-c3cnc(NCCCc4ccccc4)nc3)cc2N1.O=C1Cc2ccc(-c3cnc(Nc4ccccc4Cl)nc3)cc2N1.O=C1Cc2ccc(-c3cnc(Nc4ccccc4F)nc3)cc2N1
• InChI: InChI=1S/C22H22N4O3.C21H20N4O.3C19H16N4O.C18H13ClN4O.C18H13FN4O/c1-28-7-8-29-19-4-2-3-15(9-19)12-23-22-24-13-18(14-25-22)16-5-6-17-11-21(27)26-20(17)10-16;26-20-12-17-9-8-16(11-19(17)25-20)18-13-23-21(24-14-18)22-10-4-7-15-5-2-1-3-6-15;1-12-2-6-16(7-3-12)22-19-20-10-15(11-21-19)13-4-5-14-9-18(24)23-17(14)8-13;2*1-12-3-2-4-16(7-12)22-19-20-10-15(11-21-19)13-5-6-14-9-18(24)23-17(14)8-13;2*19-14-3-1-2-4-15(14)23-18-20-9-13(10-21-18)11-5-6-12-8-17(24)22-16(12)7-11/h2-6,9-10,13-14H,7-8,11-12H2,1H3,(H,26,27)(H,23,24,25);1-3,5-6,8-9,11,13-14H,4,7,10,12H2,(H,25,26)(H,22,23,24);3*2-8,10-11H,9H2,1H3,(H,23,24)(H,20,21,22);2*1-7,9-10H,8H2,(H,22,24)(H,20,21,23)
• InChIKey: RWESIIHVKNJAQZ-UHFFFAOYSA-N
• XLogP: 25.59
• TPSA: 486.83 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 30
• Rotatable Bonds: 29
• Heavy Atoms: 175
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2341.06
LogP ≤ 5	25.59
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-[2-(2-chloroanilino)pyrimidin-5-yl]-1,3-dihydroindol-2-one;6-[2-(2-fluoroanilino)pyrimidin-5-yl]-1,3-dihydroindol-2-one;6-[2-[[3-(2-methoxyethoxy)phenyl]methylamino]pyrimidin-5-yl]-1,3-dihydroindol-2-one;bis(6-[2-(3-methylanilino)pyrimidin-5-yl]-1,3-dihydroindol-2-one);6-[2-(4-methylanilino)pyrimidin-5-yl]-1,3-dihydroindol-2-one;6-[2-(3-phenylpropylamino)pyrimidin-5-yl]-1,3-dihydroindol-2-one?

The IUPAC name of 6-[2-(2-chloroanilino)pyrimidin-5-yl]-1,3-dihydroindol-2-one;6-[2-(2-fluoroanilino)pyrimidin-5-yl]-1,3-dihydroindol-2-one;6-[2-[[3-(2-methoxyethoxy)phenyl]methylamino]pyrimidin-5-yl]-1,3-dihydroindol-2-one;bis(6-[2-(3-methylanilino)pyrimidin-5-yl]-1,3-dihydroindol-2-one);6-[2-(4-methylanilino)pyrimidin-5-yl]-1,3-dihydroindol-2-one;6-[2-(3-phenylpropylamino)pyrimidin-5-yl]-1,3-dihydroindol-2-one (CID 163947241) is 6-[2-(2-chloroanilino)pyrimidin-5-yl]-1,3-dihydroindol-2-one;6-[2-(2-fluoroanilino)pyrimidin-5-yl]-1,3-dihydroindol-2-one;6-[2-[[3-(2-methoxyethoxy)phenyl]methylamino]pyrimidin-5-yl]-1,3-dihydroindol-2-one;bis(6-[2-(3-methylanilino)pyrimidin-5-yl]-1,3-dihydroindol-2-one);6-[2-(4-methylanilino)pyrimidin-5-yl]-1,3-dihydroindol-2-one;6-[2-(3-phenylpropylamino)pyrimidin-5-yl]-1,3-dihydroindol-2-one.

What is the SMILES notation for 6-[2-(2-chloroanilino)pyrimidin-5-yl]-1,3-dihydroindol-2-one;6-[2-(2-fluoroanilino)pyrimidin-5-yl]-1,3-dihydroindol-2-one;6-[2-[[3-(2-methoxyethoxy)phenyl]methylamino]pyrimidin-5-yl]-1,3-dihydroindol-2-one;bis(6-[2-(3-methylanilino)pyrimidin-5-yl]-1,3-dihydroindol-2-one);6-[2-(4-methylanilino)pyrimidin-5-yl]-1,3-dihydroindol-2-one;6-[2-(3-phenylpropylamino)pyrimidin-5-yl]-1,3-dihydroindol-2-one?

The canonical SMILES for 6-[2-(2-chloroanilino)pyrimidin-5-yl]-1,3-dihydroindol-2-one;6-[2-(2-fluoroanilino)pyrimidin-5-yl]-1,3-dihydroindol-2-one;6-[2-[[3-(2-methoxyethoxy)phenyl]methylamino]pyrimidin-5-yl]-1,3-dihydroindol-2-one;bis(6-[2-(3-methylanilino)pyrimidin-5-yl]-1,3-dihydroindol-2-one);6-[2-(4-methylanilino)pyrimidin-5-yl]-1,3-dihydroindol-2-one;6-[2-(3-phenylpropylamino)pyrimidin-5-yl]-1,3-dihydroindol-2-one is COCCOc1cccc(CNc2ncc(-c3ccc4c(c3)NC(=O)C4)cn2)c1.Cc1ccc(Nc2ncc(-c3ccc4c(c3)NC(=O)C4)cn2)cc1.Cc1cccc(Nc2ncc(-c3ccc4c(c3)NC(=O)C4)cn2)c1.Cc1cccc(Nc2ncc(-c3ccc4c(c3)NC(=O)C4)cn2)c1.O=C1Cc2ccc(-c3cnc(NCCCc4ccccc4)nc3)cc2N1.O=C1Cc2ccc(-c3cnc(Nc4ccccc4Cl)nc3)cc2N1.O=C1Cc2ccc(-c3cnc(Nc4ccccc4F)nc3)cc2N1.

What is the InChIKey of 6-[2-(2-chloroanilino)pyrimidin-5-yl]-1,3-dihydroindol-2-one;6-[2-(2-fluoroanilino)pyrimidin-5-yl]-1,3-dihydroindol-2-one;6-[2-[[3-(2-methoxyethoxy)phenyl]methylamino]pyrimidin-5-yl]-1,3-dihydroindol-2-one;bis(6-[2-(3-methylanilino)pyrimidin-5-yl]-1,3-dihydroindol-2-one);6-[2-(4-methylanilino)pyrimidin-5-yl]-1,3-dihydroindol-2-one;6-[2-(3-phenylpropylamino)pyrimidin-5-yl]-1,3-dihydroindol-2-one?

The InChIKey is RWESIIHVKNJAQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3.C21H20N4O.3C19H16N4O.C18H13ClN4O.C18H13FN4O/c1-28-7-8-29-19-4-2-3-15(9-19)12-23-22-24-13-18(14-25-22)16-5-6-17-11-21(27)26-20(17)10-16;26-20-12-17-9-8-16(11-19(17)25-20)18-13-23-21(24-14-18)22-10-4-7-15-5-2-1-3-6-15;1-12-2-6-16(7-3-12)22-19-20-10-15(11-21-19)13-4-5-14-9-18(24)23-17(14)8-13;2*1-12-3-2-4-16(7-12)22-19-20-10-15(11-21-19)13-5-6-14-9-18(24)23-17(14)8-13;2*19-14-3-1-2-4-15(14)23-18-20-9-13(10-21-18)11-5-6-12-8-17(24)22-16(12)7-11/h2-6,9-10,13-14H,7-8,11-12H2,1H3,(H,26,27)(H,23,24,25);1-3,5-6,8-9,11,13-14H,4,7,10,12H2,(H,25,26)(H,22,23,24);3*2-8,10-11H,9H2,1H3,(H,23,24)(H,20,21,22);2*1-7,9-10H,8H2,(H,22,24)(H,20,21,23).

What are the key properties of 6-[2-(2-chloroanilino)pyrimidin-5-yl]-1,3-dihydroindol-2-one;6-[2-(2-fluoroanilino)pyrimidin-5-yl]-1,3-dihydroindol-2-one;6-[2-[[3-(2-methoxyethoxy)phenyl]methylamino]pyrimidin-5-yl]-1,3-dihydroindol-2-one;bis(6-[2-(3-methylanilino)pyrimidin-5-yl]-1,3-dihydroindol-2-one);6-[2-(4-methylanilino)pyrimidin-5-yl]-1,3-dihydroindol-2-one;6-[2-(3-phenylpropylamino)pyrimidin-5-yl]-1,3-dihydroindol-2-one?

6-[2-(2-chloroanilino)pyrimidin-5-yl]-1,3-dihydroindol-2-one;6-[2-(2-fluoroanilino)pyrimidin-5-yl]-1,3-dihydroindol-2-one;6-[2-[[3-(2-methoxyethoxy)phenyl]methylamino]pyrimidin-5-yl]-1,3-dihydroindol-2-one;bis(6-[2-(3-methylanilino)pyrimidin-5-yl]-1,3-dihydroindol-2-one);6-[2-(4-methylanilino)pyrimidin-5-yl]-1,3-dihydroindol-2-one;6-[2-(3-phenylpropylamino)pyrimidin-5-yl]-1,3-dihydroindol-2-one has a molecular weight of 2341.06 g/mol, XLogP of 25.59, 29 rotatable bonds, 14 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2-(2-chloroanilino)pyrimidin-5-yl]-1,3-dihydroindol-2-one;6-[2-(2-fluoroanilino)pyrimidin-5-yl]-1,3-dihydroindol-2-one;6-[2-[[3-(2-methoxyethoxy)phenyl]methylamino]pyrimidin-5-yl]-1,3-dihydroindol-2-one;bis(6-[2-(3-methylanilino)pyrimidin-5-yl]-1,3-dihydroindol-2-one);6-[2-(4-methylanilino)pyrimidin-5-yl]-1,3-dihydroindol-2-one;6-[2-(3-phenylpropylamino)pyrimidin-5-yl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 163947241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).