2-[2-(2-chloro-6-methyl-4-pyridinyl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-1-methyliminothiolane 1-oxide;2-[2-(7H-cyclopenta[c]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-2-methylthiolane 1,1-dioxide;2-[2-(2-methoxy-6-methyl-4-pyridinyl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-1-methyliminothiolane 1-oxide;2-[2-(2-methylbenzimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-1-methyliminothiolane 1-oxide;1-methylimino-2-[6-[(3R)-3-methylmorpholin-4-yl]-2-(2-methyl-4-pyridinyl)pyrimidin-4-yl]thiolane 1-oxide

C105H136ClN25O12S5 — CID 157207355

About 2-[2-(2-chloro-6-methyl-4-pyridinyl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-1-methyliminothiolane 1-oxide;2-[2-(7H-cyclopenta[c]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-2-methylthiolane 1,1-dioxide;2-[2-(2-methoxy-6-methyl-4-pyridinyl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-1-methyliminothiolane 1-oxide;2-[2-(2-methylbenzimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-1-methyliminothiolane 1-oxide;1-methylimino-2-[6-[(3R)-3-methylmorpholin-4-yl]-2-(2-methyl-4-pyridinyl)pyrimidin-4-yl]thiolane 1-oxide

2-[2-(2-chloro-6-methyl-4-pyridinyl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-1-methyliminothiolane 1-oxide;2-[2-(7H-cyclopenta[c]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-2-methylthiolane 1,1-dioxide;2-[2-(2-methoxy-6-methyl-4-pyridinyl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-1-methyliminothiolane 1-oxide;2-[2-(2-methylbenzimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-1-methyliminothiolane 1-oxide;1-methylimino-2-[6-[(3R)-3-methylmorpholin-4-yl]-2-(2-methyl-4-pyridinyl)pyrimidin-4-yl]thiolane 1-oxide (PubChem CID 157207355) has the molecular formula C105H136ClN25O12S5 and a molecular weight of 2136.19 g/mol. Its IUPAC name is 2-[2-(2-chloro-6-methyl-4-pyridinyl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-1-methyliminothiolane 1-oxide;2-[2-(7H-cyclopenta[c]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-2-methylthiolane 1,1-dioxide;2-[2-(2-methoxy-6-methyl-4-pyridinyl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-1-methyliminothiolane 1-oxide;2-[2-(2-methylbenzimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-1-methyliminothiolane 1-oxide;1-methylimino-2-[6-[(3R)-3-methylmorpholin-4-yl]-2-(2-methyl-4-pyridinyl)pyrimidin-4-yl]thiolane 1-oxide.

Molecular Properties

• Compound Name: 2-[2-(2-chloro-6-methyl-4-pyridinyl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-1-methyliminothiolane 1-oxide;2-[2-(7H-cyclopenta[c]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-2-methylthiolane 1,1-dioxide;2-[2-(2-methoxy-6-methyl-4-pyridinyl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-1-methyliminothiolane 1-oxide;2-[2-(2-methylbenzimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-1-methyliminothiolane 1-oxide;1-methylimino-2-[6-[(3R)-3-methylmorpholin-4-yl]-2-(2-methyl-4-pyridinyl)pyrimidin-4-yl]thiolane 1-oxide
• PubChem CID: 157207355
• Molecular Formula: C105H136ClN25O12S5
• Molecular Weight: 2136.19 g/mol
• Exact Mass: 2133.91
• IUPAC Name: 2-[2-(2-chloro-6-methyl-4-pyridinyl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-1-methyliminothiolane 1-oxide;2-[2-(7H-cyclopenta[c]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-2-methylthiolane 1,1-dioxide;2-[2-(2-methoxy-6-methyl-4-pyridinyl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-1-methyliminothiolane 1-oxide;2-[2-(2-methylbenzimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-1-methyliminothiolane 1-oxide;1-methylimino-2-[6-[(3R)-3-methylmorpholin-4-yl]-2-(2-methyl-4-pyridinyl)pyrimidin-4-yl]thiolane 1-oxide
• SMILES: CN=S1(=O)CCCC1c1cc(N2CCOC[C@H]2C)nc(-c2cc(C)nc(Cl)c2)n1.CN=S1(=O)CCCC1c1cc(N2CCOC[C@H]2C)nc(-c2cc(C)nc(OC)c2)n1.CN=S1(=O)CCCC1c1cc(N2CCOC[C@H]2C)nc(-c2ccnc(C)c2)n1.CN=S1(=O)CCCC1c1cc(N2CCOC[C@H]2C)nc(-n2c(C)nc3ccccc32)n1.C[C@@H]1COCCN1c1cc(C2(C)CCCS2(=O)=O)nc(-c2cncc3c2C=CC3)n1
• InChI: InChI=1S/C22H28N6O2S.C22H26N4O3S.C21H29N5O3S.C20H26ClN5O2S.C20H27N5O2S/c1-15-14-30-11-10-27(15)21-13-18(20-9-6-12-31(20,29)23-3)25-22(26-21)28-16(2)24-17-7-4-5-8-19(17)28;1-15-14-29-9-8-26(15)20-11-19(22(2)7-4-10-30(22,27)28)24-21(25-20)18-13-23-12-16-5-3-6-17(16)18;1-14-10-16(11-20(23-14)28-4)21-24-17(18-6-5-9-30(18,27)22-3)12-19(25-21)26-7-8-29-13-15(26)2;1-13-9-15(10-18(21)23-13)20-24-16(17-5-4-8-29(17,27)22-3)11-19(25-20)26-6-7-28-12-14(26)2;1-14-11-16(6-7-22-14)20-23-17(18-5-4-10-28(18,26)21-3)12-19(24-20)25-8-9-27-13-15(25)2/h4-5,7-8,13,15,20H,6,9-12,14H2,1-3H3;3,6,11-13,15H,4-5,7-10,14H2,1-2H3;10-12,15,18H,5-9,13H2,1-4H3;9-11,14,17H,4-8,12H2,1-3H3;6-7,11-12,15,18H,4-5,8-10,13H2,1-3H3/t15-,20?,31?;15-,22?;15-,18?,30?;14-,17?,29?;15-,18?,28?/m11111/s1
• InChIKey: ARMVKABVJPMRHB-RYPAFGEVSA-N
• XLogP: 15.71
• TPSA: 421.72 Ų
• H-Bond Acceptors: 37
• Rotatable Bonds: 16
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2136.19
LogP ≤ 5	15.71
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-chloro-6-methyl-4-pyridinyl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-1-methyliminothiolane 1-oxide;2-[2-(7H-cyclopenta[c]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-2-methylthiolane 1,1-dioxide;2-[2-(2-methoxy-6-methyl-4-pyridinyl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-1-methyliminothiolane 1-oxide;2-[2-(2-methylbenzimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-1-methyliminothiolane 1-oxide;1-methylimino-2-[6-[(3R)-3-methylmorpholin-4-yl]-2-(2-methyl-4-pyridinyl)pyrimidin-4-yl]thiolane 1-oxide?

The IUPAC name of 2-[2-(2-chloro-6-methyl-4-pyridinyl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-1-methyliminothiolane 1-oxide;2-[2-(7H-cyclopenta[c]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-2-methylthiolane 1,1-dioxide;2-[2-(2-methoxy-6-methyl-4-pyridinyl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-1-methyliminothiolane 1-oxide;2-[2-(2-methylbenzimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-1-methyliminothiolane 1-oxide;1-methylimino-2-[6-[(3R)-3-methylmorpholin-4-yl]-2-(2-methyl-4-pyridinyl)pyrimidin-4-yl]thiolane 1-oxide (CID 157207355) is 2-[2-(2-chloro-6-methyl-4-pyridinyl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-1-methyliminothiolane 1-oxide;2-[2-(7H-cyclopenta[c]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-2-methylthiolane 1,1-dioxide;2-[2-(2-methoxy-6-methyl-4-pyridinyl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-1-methyliminothiolane 1-oxide;2-[2-(2-methylbenzimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-1-methyliminothiolane 1-oxide;1-methylimino-2-[6-[(3R)-3-methylmorpholin-4-yl]-2-(2-methyl-4-pyridinyl)pyrimidin-4-yl]thiolane 1-oxide.

What is the SMILES notation for 2-[2-(2-chloro-6-methyl-4-pyridinyl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-1-methyliminothiolane 1-oxide;2-[2-(7H-cyclopenta[c]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-2-methylthiolane 1,1-dioxide;2-[2-(2-methoxy-6-methyl-4-pyridinyl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-1-methyliminothiolane 1-oxide;2-[2-(2-methylbenzimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-1-methyliminothiolane 1-oxide;1-methylimino-2-[6-[(3R)-3-methylmorpholin-4-yl]-2-(2-methyl-4-pyridinyl)pyrimidin-4-yl]thiolane 1-oxide?

The canonical SMILES for 2-[2-(2-chloro-6-methyl-4-pyridinyl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-1-methyliminothiolane 1-oxide;2-[2-(7H-cyclopenta[c]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-2-methylthiolane 1,1-dioxide;2-[2-(2-methoxy-6-methyl-4-pyridinyl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-1-methyliminothiolane 1-oxide;2-[2-(2-methylbenzimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-1-methyliminothiolane 1-oxide;1-methylimino-2-[6-[(3R)-3-methylmorpholin-4-yl]-2-(2-methyl-4-pyridinyl)pyrimidin-4-yl]thiolane 1-oxide is CN=S1(=O)CCCC1c1cc(N2CCOC[C@H]2C)nc(-c2cc(C)nc(Cl)c2)n1.CN=S1(=O)CCCC1c1cc(N2CCOC[C@H]2C)nc(-c2cc(C)nc(OC)c2)n1.CN=S1(=O)CCCC1c1cc(N2CCOC[C@H]2C)nc(-c2ccnc(C)c2)n1.CN=S1(=O)CCCC1c1cc(N2CCOC[C@H]2C)nc(-n2c(C)nc3ccccc32)n1.C[C@@H]1COCCN1c1cc(C2(C)CCCS2(=O)=O)nc(-c2cncc3c2C=CC3)n1.

What is the InChIKey of 2-[2-(2-chloro-6-methyl-4-pyridinyl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-1-methyliminothiolane 1-oxide;2-[2-(7H-cyclopenta[c]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-2-methylthiolane 1,1-dioxide;2-[2-(2-methoxy-6-methyl-4-pyridinyl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-1-methyliminothiolane 1-oxide;2-[2-(2-methylbenzimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-1-methyliminothiolane 1-oxide;1-methylimino-2-[6-[(3R)-3-methylmorpholin-4-yl]-2-(2-methyl-4-pyridinyl)pyrimidin-4-yl]thiolane 1-oxide?

The InChIKey is ARMVKABVJPMRHB-RYPAFGEVSA-N. The full InChI is InChI=1S/C22H28N6O2S.C22H26N4O3S.C21H29N5O3S.C20H26ClN5O2S.C20H27N5O2S/c1-15-14-30-11-10-27(15)21-13-18(20-9-6-12-31(20,29)23-3)25-22(26-21)28-16(2)24-17-7-4-5-8-19(17)28;1-15-14-29-9-8-26(15)20-11-19(22(2)7-4-10-30(22,27)28)24-21(25-20)18-13-23-12-16-5-3-6-17(16)18;1-14-10-16(11-20(23-14)28-4)21-24-17(18-6-5-9-30(18,27)22-3)12-19(25-21)26-7-8-29-13-15(26)2;1-13-9-15(10-18(21)23-13)20-24-16(17-5-4-8-29(17,27)22-3)11-19(25-20)26-6-7-28-12-14(26)2;1-14-11-16(6-7-22-14)20-23-17(18-5-4-10-28(18,26)21-3)12-19(24-20)25-8-9-27-13-15(25)2/h4-5,7-8,13,15,20H,6,9-12,14H2,1-3H3;3,6,11-13,15H,4-5,7-10,14H2,1-2H3;10-12,15,18H,5-9,13H2,1-4H3;9-11,14,17H,4-8,12H2,1-3H3;6-7,11-12,15,18H,4-5,8-10,13H2,1-3H3/t15-,20?,31?;15-,22?;15-,18?,30?;14-,17?,29?;15-,18?,28?/m11111/s1.

What are the key properties of 2-[2-(2-chloro-6-methyl-4-pyridinyl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-1-methyliminothiolane 1-oxide;2-[2-(7H-cyclopenta[c]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-2-methylthiolane 1,1-dioxide;2-[2-(2-methoxy-6-methyl-4-pyridinyl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-1-methyliminothiolane 1-oxide;2-[2-(2-methylbenzimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-1-methyliminothiolane 1-oxide;1-methylimino-2-[6-[(3R)-3-methylmorpholin-4-yl]-2-(2-methyl-4-pyridinyl)pyrimidin-4-yl]thiolane 1-oxide?

2-[2-(2-chloro-6-methyl-4-pyridinyl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-1-methyliminothiolane 1-oxide;2-[2-(7H-cyclopenta[c]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-2-methylthiolane 1,1-dioxide;2-[2-(2-methoxy-6-methyl-4-pyridinyl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-1-methyliminothiolane 1-oxide;2-[2-(2-methylbenzimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-1-methyliminothiolane 1-oxide;1-methylimino-2-[6-[(3R)-3-methylmorpholin-4-yl]-2-(2-methyl-4-pyridinyl)pyrimidin-4-yl]thiolane 1-oxide has a molecular weight of 2136.19 g/mol, XLogP of 15.71, 16 rotatable bonds, 0 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(2-chloro-6-methyl-4-pyridinyl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-1-methyliminothiolane 1-oxide;2-[2-(7H-cyclopenta[c]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-2-methylthiolane 1,1-dioxide;2-[2-(2-methoxy-6-methyl-4-pyridinyl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-1-methyliminothiolane 1-oxide;2-[2-(2-methylbenzimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-1-methyliminothiolane 1-oxide;1-methylimino-2-[6-[(3R)-3-methylmorpholin-4-yl]-2-(2-methyl-4-pyridinyl)pyrimidin-4-yl]thiolane 1-oxide is sourced from PubChem (CID 157207355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).