2-[[5-[4-(2,2-difluorocyclopropyl)-6-methoxypyrimidin-5-yl]pyrazolo[4,3-d]pyrimidin-1-yl]methoxy]ethyl-trimethylsilane

C19H24F2N6O2Si — CID 164881085

IUPAC2-[[5-[4-(2,2-difluorocyclopropyl)-6-methoxypyrimidin-5-yl]pyrazolo[4,3-d]pyrimidin-1-yl]methoxy]ethyl-trimethylsilane
SMILESCOc1ncnc(C2CC2(F)F)c1-c1ncc2c(cnn2COCC[Si](C)(C)C)n1
InChIInChI=1S/C19H24F2N6O2Si/c1-28-18-15(16(23-10-24-18)12-7-19(12,20)21)17-22-9-14-13(26-17)8-25-27(14)11-29-5-6-30(2,3)4/h8-10,12H,5-7,11H2,1-4H3
InChIKeyMWJSDJSRUCVXKQ-UHFFFAOYSA-N
MW434.52 g/mol
LogP3.73
Rot. Bonds8

About 2-[[5-[4-(2,2-difluorocyclopropyl)-6-methoxypyrimidin-5-yl]pyrazolo[4,3-d]pyrimidin-1-yl]methoxy]ethyl-trimethylsilane

2-[[5-[4-(2,2-difluorocyclopropyl)-6-methoxypyrimidin-5-yl]pyrazolo[4,3-d]pyrimidin-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 164881085) has the molecular formula C19H24F2N6O2Si and a molecular weight of 434.52 g/mol. Its IUPAC name is 2-[[5-[4-(2,2-difluorocyclopropyl)-6-methoxypyrimidin-5-yl]pyrazolo[4,3-d]pyrimidin-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[5-[4-(2,2-difluorocyclopropyl)-6-methoxypyrimidin-5-yl]pyrazolo[4,3-d]pyrimidin-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID164881085
Molecular FormulaC19H24F2N6O2Si
Molecular Weight434.52 g/mol
Exact Mass434.17
IUPAC Name2-[[5-[4-(2,2-difluorocyclopropyl)-6-methoxypyrimidin-5-yl]pyrazolo[4,3-d]pyrimidin-1-yl]methoxy]ethyl-trimethylsilane
SMILESCOc1ncnc(C2CC2(F)F)c1-c1ncc2c(cnn2COCC[Si](C)(C)C)n1
InChIInChI=1S/C19H24F2N6O2Si/c1-28-18-15(16(23-10-24-18)12-7-19(12,20)21)17-22-9-14-13(26-17)8-25-27(14)11-29-5-6-30(2,3)4/h8-10,12H,5-7,11H2,1-4H3
InChIKeyMWJSDJSRUCVXKQ-UHFFFAOYSA-N
XLogP3.73
TPSA87.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.52
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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-[[5-[4-(2,2-difluorocyclopropyl)-6-methoxypyrimidin-5-yl]pyrazolo[4,3-d]pyrimidin-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[5-[4-(2,2-difluorocyclopropyl)-6-methoxypyrimidin-5-yl]pyrazolo[4,3-d]pyrimidin-1-yl]methoxy]ethyl-trimethylsilane (CID 164881085) is 2-[[5-[4-(2,2-difluorocyclopropyl)-6-methoxypyrimidin-5-yl]pyrazolo[4,3-d]pyrimidin-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[5-[4-(2,2-difluorocyclopropyl)-6-methoxypyrimidin-5-yl]pyrazolo[4,3-d]pyrimidin-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[5-[4-(2,2-difluorocyclopropyl)-6-methoxypyrimidin-5-yl]pyrazolo[4,3-d]pyrimidin-1-yl]methoxy]ethyl-trimethylsilane is COc1ncnc(C2CC2(F)F)c1-c1ncc2c(cnn2COCC[Si](C)(C)C)n1.
What is the InChIKey of 2-[[5-[4-(2,2-difluorocyclopropyl)-6-methoxypyrimidin-5-yl]pyrazolo[4,3-d]pyrimidin-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is MWJSDJSRUCVXKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F2N6O2Si/c1-28-18-15(16(23-10-24-18)12-7-19(12,20)21)17-22-9-14-13(26-17)8-25-27(14)11-29-5-6-30(2,3)4/h8-10,12H,5-7,11H2,1-4H3.
What are the key properties of 2-[[5-[4-(2,2-difluorocyclopropyl)-6-methoxypyrimidin-5-yl]pyrazolo[4,3-d]pyrimidin-1-yl]methoxy]ethyl-trimethylsilane?
2-[[5-[4-(2,2-difluorocyclopropyl)-6-methoxypyrimidin-5-yl]pyrazolo[4,3-d]pyrimidin-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 434.52 g/mol, XLogP of 3.73, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[4-(2,2-difluorocyclopropyl)-6-methoxypyrimidin-5-yl]pyrazolo[4,3-d]pyrimidin-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 164881085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).