5-iodo-4-methoxy-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-amine

C13H21IN4O2Si — CID 134849090

IUPAC5-iodo-4-methoxy-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-amine
SMILESCOc1nc(N)nc2c1c(I)cn2COCC[Si](C)(C)C
InChIInChI=1S/C13H21IN4O2Si/c1-19-12-10-9(14)7-18(11(10)16-13(15)17-12)8-20-5-6-21(2,3)4/h7H,5-6,8H2,1-4H3,(H2,15,16,17)
InChIKeyBKNQJGNZIHRIFW-UHFFFAOYSA-N
MW420.33 g/mol
LogP2.94
Rot. Bonds6

About 5-iodo-4-methoxy-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-amine

5-iodo-4-methoxy-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-amine (PubChem CID 134849090) has the molecular formula C13H21IN4O2Si and a molecular weight of 420.33 g/mol. Its IUPAC name is 5-iodo-4-methoxy-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name5-iodo-4-methoxy-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-amine
PubChem CID134849090
Molecular FormulaC13H21IN4O2Si
Molecular Weight420.33 g/mol
Exact Mass420.05
IUPAC Name5-iodo-4-methoxy-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-amine
SMILESCOc1nc(N)nc2c1c(I)cn2COCC[Si](C)(C)C
InChIInChI=1S/C13H21IN4O2Si/c1-19-12-10-9(14)7-18(11(10)16-13(15)17-12)8-20-5-6-21(2,3)4/h7H,5-6,8H2,1-4H3,(H2,15,16,17)
InChIKeyBKNQJGNZIHRIFW-UHFFFAOYSA-N
XLogP2.94
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.33
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 5-iodo-4-methoxy-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-amine?
The IUPAC name of 5-iodo-4-methoxy-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-amine (CID 134849090) is 5-iodo-4-methoxy-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 5-iodo-4-methoxy-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 5-iodo-4-methoxy-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-amine is COc1nc(N)nc2c1c(I)cn2COCC[Si](C)(C)C.
What is the InChIKey of 5-iodo-4-methoxy-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-amine?
The InChIKey is BKNQJGNZIHRIFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21IN4O2Si/c1-19-12-10-9(14)7-18(11(10)16-13(15)17-12)8-20-5-6-21(2,3)4/h7H,5-6,8H2,1-4H3,(H2,15,16,17).
What are the key properties of 5-iodo-4-methoxy-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-amine?
5-iodo-4-methoxy-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-amine has a molecular weight of 420.33 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-4-methoxy-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 134849090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).