2-[(3-bromo-4-methoxypyrazolo[5,4-d]pyrimidin-1-yl)methoxy]ethyl-trimethylsilane

C12H19BrN4O2Si — CID 58395848

IUPAC2-[(3-bromo-4-methoxypyrazolo[5,4-d]pyrimidin-1-yl)methoxy]ethyl-trimethylsilane
SMILESCOc1ncnc2c1c(Br)nn2COCC[Si](C)(C)C
InChIInChI=1S/C12H19BrN4O2Si/c1-18-12-9-10(13)16-17(11(9)14-7-15-12)8-19-5-6-20(2,3)4/h7H,5-6,8H2,1-4H3
InChIKeyISQFVYCXVLYPQN-UHFFFAOYSA-N
MW359.30 g/mol
LogP2.91
Rot. Bonds6

About 2-[(3-bromo-4-methoxypyrazolo[5,4-d]pyrimidin-1-yl)methoxy]ethyl-trimethylsilane

2-[(3-bromo-4-methoxypyrazolo[5,4-d]pyrimidin-1-yl)methoxy]ethyl-trimethylsilane (PubChem CID 58395848) has the molecular formula C12H19BrN4O2Si and a molecular weight of 359.30 g/mol. Its IUPAC name is 2-[(3-bromo-4-methoxypyrazolo[5,4-d]pyrimidin-1-yl)methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[(3-bromo-4-methoxypyrazolo[5,4-d]pyrimidin-1-yl)methoxy]ethyl-trimethylsilane
PubChem CID58395848
Molecular FormulaC12H19BrN4O2Si
Molecular Weight359.30 g/mol
Exact Mass358.05
IUPAC Name2-[(3-bromo-4-methoxypyrazolo[5,4-d]pyrimidin-1-yl)methoxy]ethyl-trimethylsilane
SMILESCOc1ncnc2c1c(Br)nn2COCC[Si](C)(C)C
InChIInChI=1S/C12H19BrN4O2Si/c1-18-12-9-10(13)16-17(11(9)14-7-15-12)8-19-5-6-20(2,3)4/h7H,5-6,8H2,1-4H3
InChIKeyISQFVYCXVLYPQN-UHFFFAOYSA-N
XLogP2.91
TPSA62.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.30
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-[(3-bromo-4-methoxypyrazolo[5,4-d]pyrimidin-1-yl)methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[(3-bromo-4-methoxypyrazolo[5,4-d]pyrimidin-1-yl)methoxy]ethyl-trimethylsilane (CID 58395848) is 2-[(3-bromo-4-methoxypyrazolo[5,4-d]pyrimidin-1-yl)methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[(3-bromo-4-methoxypyrazolo[5,4-d]pyrimidin-1-yl)methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[(3-bromo-4-methoxypyrazolo[5,4-d]pyrimidin-1-yl)methoxy]ethyl-trimethylsilane is COc1ncnc2c1c(Br)nn2COCC[Si](C)(C)C.
What is the InChIKey of 2-[(3-bromo-4-methoxypyrazolo[5,4-d]pyrimidin-1-yl)methoxy]ethyl-trimethylsilane?
The InChIKey is ISQFVYCXVLYPQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN4O2Si/c1-18-12-9-10(13)16-17(11(9)14-7-15-12)8-19-5-6-20(2,3)4/h7H,5-6,8H2,1-4H3.
What are the key properties of 2-[(3-bromo-4-methoxypyrazolo[5,4-d]pyrimidin-1-yl)methoxy]ethyl-trimethylsilane?
2-[(3-bromo-4-methoxypyrazolo[5,4-d]pyrimidin-1-yl)methoxy]ethyl-trimethylsilane has a molecular weight of 359.30 g/mol, XLogP of 2.91, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromo-4-methoxypyrazolo[5,4-d]pyrimidin-1-yl)methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 58395848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).