4-chloro-5-methyl-2-methylsulfanylpyrimidine;trimethyl-[2-[[3-(5-methyl-2-methylsulfanylpyrimidin-4-yl)-6-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane;trimethyl-[2-[[3-methyl-6-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane

C45H59ClN12O2S4Si2 — CID 163618552

About 4-chloro-5-methyl-2-methylsulfanylpyrimidine;trimethyl-[2-[[3-(5-methyl-2-methylsulfanylpyrimidin-4-yl)-6-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane;trimethyl-[2-[[3-methyl-6-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane

4-chloro-5-methyl-2-methylsulfanylpyrimidine;trimethyl-[2-[[3-(5-methyl-2-methylsulfanylpyrimidin-4-yl)-6-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane;trimethyl-[2-[[3-methyl-6-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane (PubChem CID 163618552) has the molecular formula C45H59ClN12O2S4Si2 and a molecular weight of 1019.94 g/mol. Its IUPAC name is 4-chloro-5-methyl-2-methylsulfanylpyrimidine;trimethyl-[2-[[3-(5-methyl-2-methylsulfanylpyrimidin-4-yl)-6-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane;trimethyl-[2-[[3-methyl-6-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane.

Molecular Properties

• Compound Name: 4-chloro-5-methyl-2-methylsulfanylpyrimidine;trimethyl-[2-[[3-(5-methyl-2-methylsulfanylpyrimidin-4-yl)-6-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane;trimethyl-[2-[[3-methyl-6-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane
• PubChem CID: 163618552
• Molecular Formula: C45H59ClN12O2S4Si2
• Molecular Weight: 1019.94 g/mol
• Exact Mass: 1018.30
• IUPAC Name: 4-chloro-5-methyl-2-methylsulfanylpyrimidine;trimethyl-[2-[[3-(5-methyl-2-methylsulfanylpyrimidin-4-yl)-6-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane;trimethyl-[2-[[3-methyl-6-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane
• SMILES: CSc1ncc(C)c(-c2cn(COCC[Si](C)(C)C)c3nc(-c4nc(C)ns4)ccc23)n1.CSc1ncc(C)c(Cl)n1.Cc1nsc(-c2ccc3c(C)cn(COCC[Si](C)(C)C)c3n2)n1
• InChI: InChI=1S/C22H28N6OS2Si.C17H24N4OSSi.C6H7ClN2S/c1-14-11-23-22(30-3)26-19(14)17-12-28(13-29-9-10-32(4,5)6)20-16(17)7-8-18(25-20)21-24-15(2)27-31-21;1-12-10-21(11-22-8-9-24(3,4)5)16-14(12)6-7-15(19-16)17-18-13(2)20-23-17;1-4-3-8-6(10-2)9-5(4)7/h7-8,11-12H,9-10,13H2,1-6H3;6-7,10H,8-9,11H2,1-5H3;3H,1-2H3
• InChIKey: HMCNJAUVWQTTSI-UHFFFAOYSA-N
• XLogP: 12.31
• TPSA: 157.22 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 15
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1019.94
LogP ≤ 5	12.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-methyl-2-methylsulfanylpyrimidine;trimethyl-[2-[[3-(5-methyl-2-methylsulfanylpyrimidin-4-yl)-6-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane;trimethyl-[2-[[3-methyl-6-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane?

The IUPAC name of 4-chloro-5-methyl-2-methylsulfanylpyrimidine;trimethyl-[2-[[3-(5-methyl-2-methylsulfanylpyrimidin-4-yl)-6-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane;trimethyl-[2-[[3-methyl-6-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane (CID 163618552) is 4-chloro-5-methyl-2-methylsulfanylpyrimidine;trimethyl-[2-[[3-(5-methyl-2-methylsulfanylpyrimidin-4-yl)-6-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane;trimethyl-[2-[[3-methyl-6-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane.

What is the SMILES notation for 4-chloro-5-methyl-2-methylsulfanylpyrimidine;trimethyl-[2-[[3-(5-methyl-2-methylsulfanylpyrimidin-4-yl)-6-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane;trimethyl-[2-[[3-methyl-6-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane?

The canonical SMILES for 4-chloro-5-methyl-2-methylsulfanylpyrimidine;trimethyl-[2-[[3-(5-methyl-2-methylsulfanylpyrimidin-4-yl)-6-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane;trimethyl-[2-[[3-methyl-6-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane is CSc1ncc(C)c(-c2cn(COCC[Si](C)(C)C)c3nc(-c4nc(C)ns4)ccc23)n1.CSc1ncc(C)c(Cl)n1.Cc1nsc(-c2ccc3c(C)cn(COCC[Si](C)(C)C)c3n2)n1.

What is the InChIKey of 4-chloro-5-methyl-2-methylsulfanylpyrimidine;trimethyl-[2-[[3-(5-methyl-2-methylsulfanylpyrimidin-4-yl)-6-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane;trimethyl-[2-[[3-methyl-6-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane?

The InChIKey is HMCNJAUVWQTTSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6OS2Si.C17H24N4OSSi.C6H7ClN2S/c1-14-11-23-22(30-3)26-19(14)17-12-28(13-29-9-10-32(4,5)6)20-16(17)7-8-18(25-20)21-24-15(2)27-31-21;1-12-10-21(11-22-8-9-24(3,4)5)16-14(12)6-7-15(19-16)17-18-13(2)20-23-17;1-4-3-8-6(10-2)9-5(4)7/h7-8,11-12H,9-10,13H2,1-6H3;6-7,10H,8-9,11H2,1-5H3;3H,1-2H3.

What are the key properties of 4-chloro-5-methyl-2-methylsulfanylpyrimidine;trimethyl-[2-[[3-(5-methyl-2-methylsulfanylpyrimidin-4-yl)-6-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane;trimethyl-[2-[[3-methyl-6-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane?

4-chloro-5-methyl-2-methylsulfanylpyrimidine;trimethyl-[2-[[3-(5-methyl-2-methylsulfanylpyrimidin-4-yl)-6-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane;trimethyl-[2-[[3-methyl-6-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane has a molecular weight of 1019.94 g/mol, XLogP of 12.31, 15 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-5-methyl-2-methylsulfanylpyrimidine;trimethyl-[2-[[3-(5-methyl-2-methylsulfanylpyrimidin-4-yl)-6-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane;trimethyl-[2-[[3-methyl-6-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane is sourced from PubChem (CID 163618552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).