2-[(2-butyl-4-chloro-7-iodopyrrolo[3,2-d]pyrimidin-5-yl)methoxy]ethyl-trimethylsilane

C16H25ClIN3OSi — CID 140692585

IUPAC2-[(2-butyl-4-chloro-7-iodopyrrolo[3,2-d]pyrimidin-5-yl)methoxy]ethyl-trimethylsilane
SMILESCCCCc1nc(Cl)c2c(n1)c(I)cn2COCC[Si](C)(C)C
InChIInChI=1S/C16H25ClIN3OSi/c1-5-6-7-13-19-14-12(18)10-21(15(14)16(17)20-13)11-22-8-9-23(2,3)4/h10H,5-9,11H2,1-4H3
InChIKeyXOPGUDURHHQIOU-UHFFFAOYSA-N
MW465.84 g/mol
LogP5.34
Rot. Bonds8

About 2-[(2-butyl-4-chloro-7-iodopyrrolo[3,2-d]pyrimidin-5-yl)methoxy]ethyl-trimethylsilane

2-[(2-butyl-4-chloro-7-iodopyrrolo[3,2-d]pyrimidin-5-yl)methoxy]ethyl-trimethylsilane (PubChem CID 140692585) has the molecular formula C16H25ClIN3OSi and a molecular weight of 465.84 g/mol. Its IUPAC name is 2-[(2-butyl-4-chloro-7-iodopyrrolo[3,2-d]pyrimidin-5-yl)methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[(2-butyl-4-chloro-7-iodopyrrolo[3,2-d]pyrimidin-5-yl)methoxy]ethyl-trimethylsilane
PubChem CID140692585
Molecular FormulaC16H25ClIN3OSi
Molecular Weight465.84 g/mol
Exact Mass465.05
IUPAC Name2-[(2-butyl-4-chloro-7-iodopyrrolo[3,2-d]pyrimidin-5-yl)methoxy]ethyl-trimethylsilane
SMILESCCCCc1nc(Cl)c2c(n1)c(I)cn2COCC[Si](C)(C)C
InChIInChI=1S/C16H25ClIN3OSi/c1-5-6-7-13-19-14-12(18)10-21(15(14)16(17)20-13)11-22-8-9-23(2,3)4/h10H,5-9,11H2,1-4H3
InChIKeyXOPGUDURHHQIOU-UHFFFAOYSA-N
XLogP5.34
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.84
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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Related Compounds

2-[(3-chloro-7-iodopyrrolo[2,3-b]pyrazin-5-yl)methoxy]ethyl-trimethylsilane
CID 155673212
2-[(2,4-dichloro-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane
CID 86679621
1-[3-chloro-7-iodo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]ethanone
CID 157393930
2-[(4-chloro-5-iodo-2-methylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane
CID 86706959
2-[(2-butylpyrrol-1-yl)methoxy]ethyl-trimethylsilane
CID 13211466
2-[(4-butylimidazol-1-yl)methoxy]ethyl-trimethylsilane
CID 71485604
2-[(3-chloro-5-iodopyrrolo[2,3-c]pyridazin-7-yl)methoxy]ethyl-trimethylsilane
CID 170546086
2-chloro-5-iodo-7-(2-trimethylsilylethoxymethyl)-3H-pyrrolo[2,3-d]pyrimidin-4-one;2-[(2,4-dichloro-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane
CID 167542684
methyl 3-amino-7-iodo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-2-carboxylate
CID 142755280
2-[[2-chloro-5-iodo-4-(1-methylcyclobutyl)oxypyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane
CID 86726484
N-ethyl-3-iodo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine
CID 58395851
trimethyl-[2-[(3-tributylstannylindol-1-yl)methoxy]ethyl]silane
CID 177464058

Frequently Asked Questions

What is the IUPAC name of 2-[(2-butyl-4-chloro-7-iodopyrrolo[3,2-d]pyrimidin-5-yl)methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[(2-butyl-4-chloro-7-iodopyrrolo[3,2-d]pyrimidin-5-yl)methoxy]ethyl-trimethylsilane (CID 140692585) is 2-[(2-butyl-4-chloro-7-iodopyrrolo[3,2-d]pyrimidin-5-yl)methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[(2-butyl-4-chloro-7-iodopyrrolo[3,2-d]pyrimidin-5-yl)methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[(2-butyl-4-chloro-7-iodopyrrolo[3,2-d]pyrimidin-5-yl)methoxy]ethyl-trimethylsilane is CCCCc1nc(Cl)c2c(n1)c(I)cn2COCC[Si](C)(C)C.
What is the InChIKey of 2-[(2-butyl-4-chloro-7-iodopyrrolo[3,2-d]pyrimidin-5-yl)methoxy]ethyl-trimethylsilane?
The InChIKey is XOPGUDURHHQIOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClIN3OSi/c1-5-6-7-13-19-14-12(18)10-21(15(14)16(17)20-13)11-22-8-9-23(2,3)4/h10H,5-9,11H2,1-4H3.
What are the key properties of 2-[(2-butyl-4-chloro-7-iodopyrrolo[3,2-d]pyrimidin-5-yl)methoxy]ethyl-trimethylsilane?
2-[(2-butyl-4-chloro-7-iodopyrrolo[3,2-d]pyrimidin-5-yl)methoxy]ethyl-trimethylsilane has a molecular weight of 465.84 g/mol, XLogP of 5.34, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-butyl-4-chloro-7-iodopyrrolo[3,2-d]pyrimidin-5-yl)methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 140692585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).