2-[2-(benzimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-2-methylthiolane 1,1-dioxide;2-[2-(2-chloro-7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-1-cyclopropylimino-2-methylthiolane 1-oxide;2-[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-1-cyclopropylimino-2-methylthiolane 1-oxide;1-cyclopropylimino-2-[2-(2-ethoxy-7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-2-methylthiolane 1-oxide;1-cyclopropylimino-2-[2-(2-methoxy-7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-2-methylthiolane 1-oxide

C124H154ClN25O13S5 — CID 159124154

About 2-[2-(benzimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-2-methylthiolane 1,1-dioxide;2-[2-(2-chloro-7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-1-cyclopropylimino-2-methylthiolane 1-oxide;2-[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-1-cyclopropylimino-2-methylthiolane 1-oxide;1-cyclopropylimino-2-[2-(2-ethoxy-7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-2-methylthiolane 1-oxide;1-cyclopropylimino-2-[2-(2-methoxy-7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-2-methylthiolane 1-oxide

2-[2-(benzimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-2-methylthiolane 1,1-dioxide;2-[2-(2-chloro-7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-1-cyclopropylimino-2-methylthiolane 1-oxide;2-[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-1-cyclopropylimino-2-methylthiolane 1-oxide;1-cyclopropylimino-2-[2-(2-ethoxy-7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-2-methylthiolane 1-oxide;1-cyclopropylimino-2-[2-(2-methoxy-7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-2-methylthiolane 1-oxide (PubChem CID 159124154) has the molecular formula C124H154ClN25O13S5 and a molecular weight of 2398.55 g/mol. Its IUPAC name is 2-[2-(benzimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-2-methylthiolane 1,1-dioxide;2-[2-(2-chloro-7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-1-cyclopropylimino-2-methylthiolane 1-oxide;2-[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-1-cyclopropylimino-2-methylthiolane 1-oxide;1-cyclopropylimino-2-[2-(2-ethoxy-7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-2-methylthiolane 1-oxide;1-cyclopropylimino-2-[2-(2-methoxy-7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-2-methylthiolane 1-oxide.

Molecular Properties

• Compound Name: 2-[2-(benzimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-2-methylthiolane 1,1-dioxide;2-[2-(2-chloro-7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-1-cyclopropylimino-2-methylthiolane 1-oxide;2-[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-1-cyclopropylimino-2-methylthiolane 1-oxide;1-cyclopropylimino-2-[2-(2-ethoxy-7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-2-methylthiolane 1-oxide;1-cyclopropylimino-2-[2-(2-methoxy-7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-2-methylthiolane 1-oxide
• PubChem CID: 159124154
• Molecular Formula: C124H154ClN25O13S5
• Molecular Weight: 2398.55 g/mol
• Exact Mass: 2396.05
• IUPAC Name: 2-[2-(benzimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-2-methylthiolane 1,1-dioxide;2-[2-(2-chloro-7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-1-cyclopropylimino-2-methylthiolane 1-oxide;2-[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-1-cyclopropylimino-2-methylthiolane 1-oxide;1-cyclopropylimino-2-[2-(2-ethoxy-7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-2-methylthiolane 1-oxide;1-cyclopropylimino-2-[2-(2-methoxy-7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-2-methylthiolane 1-oxide
• SMILES: CCOc1cc(-c2nc(N3CCOC[C@H]3C)cc(C3(C)CCCS3(=O)=NC3CC3)n2)c2c(n1)CC=C2.COc1cc(-c2nc(N3CCOC[C@H]3C)cc(C3(C)CCCS3(=O)=NC3CC3)n2)c2c(n1)CC=C2.C[C@@H]1COCCN1c1cc(C2(C)CCCS2(=O)=NC2CC2)nc(-c2cc(Cl)nc3c2C=CC3)n1.C[C@@H]1COCCN1c1cc(C2(C)CCCS2(=O)=NC2CC2)nc(-c2ccnc3c2C=CC3)n1.C[C@@H]1COCCN1c1cc(C2(C)CCCS2(=O)=O)nc(-n2cnc3ccccc32)n1
• InChI: InChI=1S/C27H35N5O3S.C26H33N5O3S.C25H30ClN5O2S.C25H31N5O2S.C21H25N5O3S/c1-4-35-25-15-21(20-7-5-8-22(20)28-25)26-29-23(16-24(30-26)32-12-13-34-17-18(32)2)27(3)11-6-14-36(27,33)31-19-9-10-19;1-17-16-34-12-11-31(17)23-15-22(26(2)10-5-13-35(26,32)30-18-8-9-18)28-25(29-23)20-14-24(33-3)27-21-7-4-6-19(20)21;1-16-15-33-11-10-31(16)23-14-21(25(2)9-4-12-34(25,32)30-17-7-8-17)28-24(29-23)19-13-22(26)27-20-6-3-5-18(19)20;1-17-16-32-13-12-30(17)23-15-22(25(2)10-4-14-33(25,31)29-18-7-8-18)27-24(28-23)20-9-11-26-21-6-3-5-19(20)21;1-15-13-29-10-9-25(15)19-12-18(21(2)8-5-11-30(21,27)28)23-20(24-19)26-14-22-16-6-3-4-7-17(16)26/h5,7,15-16,18-19H,4,6,8-14,17H2,1-3H3;4,6,14-15,17-18H,5,7-13,16H2,1-3H3;3,5,13-14,16-17H,4,6-12,15H2,1-2H3;3,5,9,11,15,17-18H,4,6-8,10,12-14,16H2,1-2H3;3-4,6-7,12,14-15H,5,8-11,13H2,1-2H3/t18-,27?,36?;17-,26?,35?;16-,25?,34?;17-,25?,33?;15-,21?/m11111/s1
• InChIKey: KGBOAVJZFLKRGY-WUMUCOKGSA-N
• XLogP: 19.41
• TPSA: 430.95 Ų
• H-Bond Acceptors: 38
• Rotatable Bonds: 22
• Heavy Atoms: 168
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2398.55
LogP ≤ 5	19.41
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[2-(benzimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-2-methylthiolane 1,1-dioxide;2-[2-(2-chloro-7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-1-cyclopropylimino-2-methylthiolane 1-oxide;2-[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-1-cyclopropylimino-2-methylthiolane 1-oxide;1-cyclopropylimino-2-[2-(2-ethoxy-7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-2-methylthiolane 1-oxide;1-cyclopropylimino-2-[2-(2-methoxy-7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-2-methylthiolane 1-oxide?

The IUPAC name of 2-[2-(benzimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-2-methylthiolane 1,1-dioxide;2-[2-(2-chloro-7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-1-cyclopropylimino-2-methylthiolane 1-oxide;2-[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-1-cyclopropylimino-2-methylthiolane 1-oxide;1-cyclopropylimino-2-[2-(2-ethoxy-7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-2-methylthiolane 1-oxide;1-cyclopropylimino-2-[2-(2-methoxy-7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-2-methylthiolane 1-oxide (CID 159124154) is 2-[2-(benzimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-2-methylthiolane 1,1-dioxide;2-[2-(2-chloro-7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-1-cyclopropylimino-2-methylthiolane 1-oxide;2-[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-1-cyclopropylimino-2-methylthiolane 1-oxide;1-cyclopropylimino-2-[2-(2-ethoxy-7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-2-methylthiolane 1-oxide;1-cyclopropylimino-2-[2-(2-methoxy-7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-2-methylthiolane 1-oxide.

What is the SMILES notation for 2-[2-(benzimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-2-methylthiolane 1,1-dioxide;2-[2-(2-chloro-7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-1-cyclopropylimino-2-methylthiolane 1-oxide;2-[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-1-cyclopropylimino-2-methylthiolane 1-oxide;1-cyclopropylimino-2-[2-(2-ethoxy-7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-2-methylthiolane 1-oxide;1-cyclopropylimino-2-[2-(2-methoxy-7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-2-methylthiolane 1-oxide?

The canonical SMILES for 2-[2-(benzimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-2-methylthiolane 1,1-dioxide;2-[2-(2-chloro-7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-1-cyclopropylimino-2-methylthiolane 1-oxide;2-[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-1-cyclopropylimino-2-methylthiolane 1-oxide;1-cyclopropylimino-2-[2-(2-ethoxy-7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-2-methylthiolane 1-oxide;1-cyclopropylimino-2-[2-(2-methoxy-7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-2-methylthiolane 1-oxide is CCOc1cc(-c2nc(N3CCOC[C@H]3C)cc(C3(C)CCCS3(=O)=NC3CC3)n2)c2c(n1)CC=C2.COc1cc(-c2nc(N3CCOC[C@H]3C)cc(C3(C)CCCS3(=O)=NC3CC3)n2)c2c(n1)CC=C2.C[C@@H]1COCCN1c1cc(C2(C)CCCS2(=O)=NC2CC2)nc(-c2cc(Cl)nc3c2C=CC3)n1.C[C@@H]1COCCN1c1cc(C2(C)CCCS2(=O)=NC2CC2)nc(-c2ccnc3c2C=CC3)n1.C[C@@H]1COCCN1c1cc(C2(C)CCCS2(=O)=O)nc(-n2cnc3ccccc32)n1.

What is the InChIKey of 2-[2-(benzimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-2-methylthiolane 1,1-dioxide;2-[2-(2-chloro-7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-1-cyclopropylimino-2-methylthiolane 1-oxide;2-[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-1-cyclopropylimino-2-methylthiolane 1-oxide;1-cyclopropylimino-2-[2-(2-ethoxy-7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-2-methylthiolane 1-oxide;1-cyclopropylimino-2-[2-(2-methoxy-7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-2-methylthiolane 1-oxide?

The InChIKey is KGBOAVJZFLKRGY-WUMUCOKGSA-N. The full InChI is InChI=1S/C27H35N5O3S.C26H33N5O3S.C25H30ClN5O2S.C25H31N5O2S.C21H25N5O3S/c1-4-35-25-15-21(20-7-5-8-22(20)28-25)26-29-23(16-24(30-26)32-12-13-34-17-18(32)2)27(3)11-6-14-36(27,33)31-19-9-10-19;1-17-16-34-12-11-31(17)23-15-22(26(2)10-5-13-35(26,32)30-18-8-9-18)28-25(29-23)20-14-24(33-3)27-21-7-4-6-19(20)21;1-16-15-33-11-10-31(16)23-14-21(25(2)9-4-12-34(25,32)30-17-7-8-17)28-24(29-23)19-13-22(26)27-20-6-3-5-18(19)20;1-17-16-32-13-12-30(17)23-15-22(25(2)10-4-14-33(25,31)29-18-7-8-18)27-24(28-23)20-9-11-26-21-6-3-5-19(20)21;1-15-13-29-10-9-25(15)19-12-18(21(2)8-5-11-30(21,27)28)23-20(24-19)26-14-22-16-6-3-4-7-17(16)26/h5,7,15-16,18-19H,4,6,8-14,17H2,1-3H3;4,6,14-15,17-18H,5,7-13,16H2,1-3H3;3,5,13-14,16-17H,4,6-12,15H2,1-2H3;3,5,9,11,15,17-18H,4,6-8,10,12-14,16H2,1-2H3;3-4,6-7,12,14-15H,5,8-11,13H2,1-2H3/t18-,27?,36?;17-,26?,35?;16-,25?,34?;17-,25?,33?;15-,21?/m11111/s1.

What are the key properties of 2-[2-(benzimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-2-methylthiolane 1,1-dioxide;2-[2-(2-chloro-7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-1-cyclopropylimino-2-methylthiolane 1-oxide;2-[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-1-cyclopropylimino-2-methylthiolane 1-oxide;1-cyclopropylimino-2-[2-(2-ethoxy-7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-2-methylthiolane 1-oxide;1-cyclopropylimino-2-[2-(2-methoxy-7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-2-methylthiolane 1-oxide?

2-[2-(benzimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-2-methylthiolane 1,1-dioxide;2-[2-(2-chloro-7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-1-cyclopropylimino-2-methylthiolane 1-oxide;2-[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-1-cyclopropylimino-2-methylthiolane 1-oxide;1-cyclopropylimino-2-[2-(2-ethoxy-7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-2-methylthiolane 1-oxide;1-cyclopropylimino-2-[2-(2-methoxy-7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-2-methylthiolane 1-oxide has a molecular weight of 2398.55 g/mol, XLogP of 19.41, 22 rotatable bonds, 0 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(benzimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-2-methylthiolane 1,1-dioxide;2-[2-(2-chloro-7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-1-cyclopropylimino-2-methylthiolane 1-oxide;2-[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-1-cyclopropylimino-2-methylthiolane 1-oxide;1-cyclopropylimino-2-[2-(2-ethoxy-7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-2-methylthiolane 1-oxide;1-cyclopropylimino-2-[2-(2-methoxy-7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-2-methylthiolane 1-oxide is sourced from PubChem (CID 159124154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).