2-[(2-Chloro-4-ethenylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane

C14H20ClN3OSi — CID 87223684

IUPAC2-[(2-chloro-4-ethenylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCN1C=CC2=C(N=C(N=C21)Cl)C=C
InChIInChI=1S/C14H20ClN3OSi/c1-5-12-11-6-7-18(13(11)17-14(15)16-12)10-19-8-9-20(2,3)4/h5-7H,1,8-10H2,2-4H3
InChIKeyBKJKIQSKSGSYHW-UHFFFAOYSA-N
MW309.86 g/mol
LogP—
Rot. Bonds6

About 2-[(2-Chloro-4-ethenylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane

2-[(2-Chloro-4-ethenylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane (PubChem CID 87223684) has the molecular formula C14H20ClN3OSi and a molecular weight of 309.86 g/mol. Its IUPAC name is 2-[(2-chloro-4-ethenylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[(2-Chloro-4-ethenylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane
PubChem CID87223684
Molecular FormulaC14H20ClN3OSi
Molecular Weight309.86 g/mol
Exact Mass309.11
IUPAC Name2-[(2-chloro-4-ethenylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCN1C=CC2=C(N=C(N=C21)Cl)C=C
InChIInChI=1S/C14H20ClN3OSi/c1-5-12-11-6-7-18(13(11)17-14(15)16-12)10-19-8-9-20(2,3)4/h5-7H,1,8-10H2,2-4H3
InChIKeyBKJKIQSKSGSYHW-UHFFFAOYSA-N
XLogP—
TPSA39.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity337

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-Chloro-4-ethenylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[(2-Chloro-4-ethenylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane (CID 87223684) is 2-[(2-chloro-4-ethenylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[(2-Chloro-4-ethenylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[(2-Chloro-4-ethenylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane is C[Si](C)(C)CCOCN1C=CC2=C(N=C(N=C21)Cl)C=C.
What is the InChIKey of 2-[(2-Chloro-4-ethenylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane?
The InChIKey is BKJKIQSKSGSYHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3OSi/c1-5-12-11-6-7-18(13(11)17-14(15)16-12)10-19-8-9-20(2,3)4/h5-7H,1,8-10H2,2-4H3.
What are the key properties of 2-[(2-Chloro-4-ethenylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane?
2-[(2-Chloro-4-ethenylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane has a molecular weight of 309.86 g/mol, XLogP of not available, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-Chloro-4-ethenylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 87223684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).