methyl 2-[5-iodo-4-(2-trimethylsilylethoxy)pyrrolo[2,3-d]pyrimidin-7-yl]acetate

C14H20IN3O3Si — CID 155630757

IUPACmethyl 2-[5-iodo-4-(2-trimethylsilylethoxy)pyrrolo[2,3-d]pyrimidin-7-yl]acetate
SMILESCOC(=O)Cn1cc(I)c2c(OCC[Si](C)(C)C)ncnc21
InChIInChI=1S/C14H20IN3O3Si/c1-20-11(19)8-18-7-10(15)12-13(18)16-9-17-14(12)21-5-6-22(2,3)4/h7,9H,5-6,8H2,1-4H3
InChIKeyXTXREJCUPKMHCP-UHFFFAOYSA-N
MW433.32 g/mol
LogP2.93
Rot. Bonds6

About methyl 2-[5-iodo-4-(2-trimethylsilylethoxy)pyrrolo[2,3-d]pyrimidin-7-yl]acetate

methyl 2-[5-iodo-4-(2-trimethylsilylethoxy)pyrrolo[2,3-d]pyrimidin-7-yl]acetate (PubChem CID 155630757) has the molecular formula C14H20IN3O3Si and a molecular weight of 433.32 g/mol. Its IUPAC name is methyl 2-[5-iodo-4-(2-trimethylsilylethoxy)pyrrolo[2,3-d]pyrimidin-7-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[5-iodo-4-(2-trimethylsilylethoxy)pyrrolo[2,3-d]pyrimidin-7-yl]acetate
PubChem CID155630757
Molecular FormulaC14H20IN3O3Si
Molecular Weight433.32 g/mol
Exact Mass433.03
IUPAC Namemethyl 2-[5-iodo-4-(2-trimethylsilylethoxy)pyrrolo[2,3-d]pyrimidin-7-yl]acetate
SMILESCOC(=O)Cn1cc(I)c2c(OCC[Si](C)(C)C)ncnc21
InChIInChI=1S/C14H20IN3O3Si/c1-20-11(19)8-18-7-10(15)12-13(18)16-9-17-14(12)21-5-6-22(2,3)4/h7,9H,5-6,8H2,1-4H3
InChIKeyXTXREJCUPKMHCP-UHFFFAOYSA-N
XLogP2.93
TPSA66.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.32
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-iodo-4-(2-trimethylsilylethoxy)pyrrolo[2,3-d]pyrimidin-7-yl]acetate?
The IUPAC name of methyl 2-[5-iodo-4-(2-trimethylsilylethoxy)pyrrolo[2,3-d]pyrimidin-7-yl]acetate (CID 155630757) is methyl 2-[5-iodo-4-(2-trimethylsilylethoxy)pyrrolo[2,3-d]pyrimidin-7-yl]acetate.
What is the SMILES notation for methyl 2-[5-iodo-4-(2-trimethylsilylethoxy)pyrrolo[2,3-d]pyrimidin-7-yl]acetate?
The canonical SMILES for methyl 2-[5-iodo-4-(2-trimethylsilylethoxy)pyrrolo[2,3-d]pyrimidin-7-yl]acetate is COC(=O)Cn1cc(I)c2c(OCC[Si](C)(C)C)ncnc21.
What is the InChIKey of methyl 2-[5-iodo-4-(2-trimethylsilylethoxy)pyrrolo[2,3-d]pyrimidin-7-yl]acetate?
The InChIKey is XTXREJCUPKMHCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20IN3O3Si/c1-20-11(19)8-18-7-10(15)12-13(18)16-9-17-14(12)21-5-6-22(2,3)4/h7,9H,5-6,8H2,1-4H3.
What are the key properties of methyl 2-[5-iodo-4-(2-trimethylsilylethoxy)pyrrolo[2,3-d]pyrimidin-7-yl]acetate?
methyl 2-[5-iodo-4-(2-trimethylsilylethoxy)pyrrolo[2,3-d]pyrimidin-7-yl]acetate has a molecular weight of 433.32 g/mol, XLogP of 2.93, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-iodo-4-(2-trimethylsilylethoxy)pyrrolo[2,3-d]pyrimidin-7-yl]acetate is sourced from PubChem (CID 155630757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).