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

C12H16Cl2IN3OSi — CID 86679621

IUPAC2-[(2,4-dichloro-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1cc(I)c2c(Cl)nc(Cl)nc21
InChIInChI=1S/C12H16Cl2IN3OSi/c1-20(2,3)5-4-19-7-18-6-8(15)9-10(13)16-12(14)17-11(9)18/h6H,4-5,7H2,1-3H3
InChIKeyGOSIUUKDKZGBNS-UHFFFAOYSA-N
MW444.18 g/mol
LogP4.66
Rot. Bonds5

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

2-[(2,4-dichloro-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane (PubChem CID 86679621) has the molecular formula C12H16Cl2IN3OSi and a molecular weight of 444.18 g/mol. Its IUPAC name is 2-[(2,4-dichloro-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[(2,4-dichloro-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane
PubChem CID86679621
Molecular FormulaC12H16Cl2IN3OSi
Molecular Weight444.18 g/mol
Exact Mass442.95
IUPAC Name2-[(2,4-dichloro-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1cc(I)c2c(Cl)nc(Cl)nc21
InChIInChI=1S/C12H16Cl2IN3OSi/c1-20(2,3)5-4-19-7-18-6-8(15)9-10(13)16-12(14)17-11(9)18/h6H,4-5,7H2,1-3H3
InChIKeyGOSIUUKDKZGBNS-UHFFFAOYSA-N
XLogP4.66
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.18
LogP ≤ 54.66
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-[(4-chloro-5-iodo-2-methylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane
CID 86706959
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
2-[(2-chloro-4-cyclopentyloxy-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane
CID 86726423
2-[[2-chloro-5-iodo-4-(1-methylcyclobutyl)oxypyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane
CID 86726484
2-chloro-5-methyl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 133061792
5-iodo-2,3-dimethyl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-one
CID 167537057
2-[(3-chloro-7-iodopyrrolo[2,3-b]pyrazin-5-yl)methoxy]ethyl-trimethylsilane
CID 155673212
1-[3-chloro-7-iodo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]ethanone
CID 157393930
2-[(3-chloro-5-iodopyrrolo[2,3-c]pyridazin-7-yl)methoxy]ethyl-trimethylsilane
CID 170546086
3-[[2,5-dichloro-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]amino]propan-1-ol
CID 166600427
2,4-dichloro-5-iodo-7-methylpyrrolo[2,3-d]pyrimidine
CID 89460082
N-ethyl-3-iodo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine
CID 58395851

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dichloro-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[(2,4-dichloro-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane (CID 86679621) is 2-[(2,4-dichloro-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[(2,4-dichloro-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[(2,4-dichloro-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane is C[Si](C)(C)CCOCn1cc(I)c2c(Cl)nc(Cl)nc21.
What is the InChIKey of 2-[(2,4-dichloro-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane?
The InChIKey is GOSIUUKDKZGBNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2IN3OSi/c1-20(2,3)5-4-19-7-18-6-8(15)9-10(13)16-12(14)17-11(9)18/h6H,4-5,7H2,1-3H3.
What are the key properties of 2-[(2,4-dichloro-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane?
2-[(2,4-dichloro-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane has a molecular weight of 444.18 g/mol, XLogP of 4.66, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dichloro-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 86679621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).