4-(2,4-dimethylphenyl)-5-methyl-2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine;2-[[4-(2,4-dimethylphenyl)-5-methyl-2-methylsulfanylpyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane

C38H48N6OS2Si — CID 157220845

About 4-(2,4-dimethylphenyl)-5-methyl-2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine;2-[[4-(2,4-dimethylphenyl)-5-methyl-2-methylsulfanylpyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane

4-(2,4-dimethylphenyl)-5-methyl-2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine;2-[[4-(2,4-dimethylphenyl)-5-methyl-2-methylsulfanylpyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane (PubChem CID 157220845) has the molecular formula C38H48N6OS2Si and a molecular weight of 697.06 g/mol. Its IUPAC name is 4-(2,4-dimethylphenyl)-5-methyl-2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine;2-[[4-(2,4-dimethylphenyl)-5-methyl-2-methylsulfanylpyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

• Compound Name: 4-(2,4-dimethylphenyl)-5-methyl-2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine;2-[[4-(2,4-dimethylphenyl)-5-methyl-2-methylsulfanylpyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane
• PubChem CID: 157220845
• Molecular Formula: C38H48N6OS2Si
• Molecular Weight: 697.06 g/mol
• Exact Mass: 696.31
• IUPAC Name: 4-(2,4-dimethylphenyl)-5-methyl-2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine;2-[[4-(2,4-dimethylphenyl)-5-methyl-2-methylsulfanylpyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane
• SMILES: CSc1nc(-c2ccc(C)cc2C)c2c(C)c[nH]c2n1.CSc1nc(-c2ccc(C)cc2C)c2c(C)cn(COCC[Si](C)(C)C)c2n1
• InChI: InChI=1S/C22H31N3OSSi.C16H17N3S/c1-15-8-9-18(16(2)12-15)20-19-17(3)13-25(14-26-10-11-28(5,6)7)21(19)24-22(23-20)27-4;1-9-5-6-12(10(2)7-9)14-13-11(3)8-17-15(13)19-16(18-14)20-4/h8-9,12-13H,10-11,14H2,1-7H3;5-8H,1-4H3,(H,17,18,19)
• InChIKey: ASYYBRRQVCZCBA-UHFFFAOYSA-N
• XLogP: 10.33
• TPSA: 81.51 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	697.06
LogP ≤ 5	10.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

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-(2,4-dimethylphenyl)-5-methyl-2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine;2-[[4-(2,4-dimethylphenyl)-5-methyl-2-methylsulfanylpyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane?

The IUPAC name of 4-(2,4-dimethylphenyl)-5-methyl-2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine;2-[[4-(2,4-dimethylphenyl)-5-methyl-2-methylsulfanylpyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane (CID 157220845) is 4-(2,4-dimethylphenyl)-5-methyl-2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine;2-[[4-(2,4-dimethylphenyl)-5-methyl-2-methylsulfanylpyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane.

What is the SMILES notation for 4-(2,4-dimethylphenyl)-5-methyl-2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine;2-[[4-(2,4-dimethylphenyl)-5-methyl-2-methylsulfanylpyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane?

The canonical SMILES for 4-(2,4-dimethylphenyl)-5-methyl-2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine;2-[[4-(2,4-dimethylphenyl)-5-methyl-2-methylsulfanylpyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane is CSc1nc(-c2ccc(C)cc2C)c2c(C)c[nH]c2n1.CSc1nc(-c2ccc(C)cc2C)c2c(C)cn(COCC[Si](C)(C)C)c2n1.

What is the InChIKey of 4-(2,4-dimethylphenyl)-5-methyl-2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine;2-[[4-(2,4-dimethylphenyl)-5-methyl-2-methylsulfanylpyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane?

The InChIKey is ASYYBRRQVCZCBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3OSSi.C16H17N3S/c1-15-8-9-18(16(2)12-15)20-19-17(3)13-25(14-26-10-11-28(5,6)7)21(19)24-22(23-20)27-4;1-9-5-6-12(10(2)7-9)14-13-11(3)8-17-15(13)19-16(18-14)20-4/h8-9,12-13H,10-11,14H2,1-7H3;5-8H,1-4H3,(H,17,18,19).

What are the key properties of 4-(2,4-dimethylphenyl)-5-methyl-2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine;2-[[4-(2,4-dimethylphenyl)-5-methyl-2-methylsulfanylpyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane?

4-(2,4-dimethylphenyl)-5-methyl-2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine;2-[[4-(2,4-dimethylphenyl)-5-methyl-2-methylsulfanylpyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 697.06 g/mol, XLogP of 10.33, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2,4-dimethylphenyl)-5-methyl-2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine;2-[[4-(2,4-dimethylphenyl)-5-methyl-2-methylsulfanylpyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 157220845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).