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

C19H25FN6O2Si — CID 164881075

IUPAC2-[[5-[4-(1-fluorocyclopropyl)-6-methoxypyrimidin-5-yl]pyrazolo[4,3-d]pyrimidin-1-yl]methoxy]ethyl-trimethylsilane
SMILESCOc1ncnc(C2(F)CC2)c1-c1ncc2c(cnn2COCC[Si](C)(C)C)n1
InChIInChI=1S/C19H25FN6O2Si/c1-27-18-15(16(22-11-23-18)19(20)5-6-19)17-21-10-14-13(25-17)9-24-26(14)12-28-7-8-29(2,3)4/h9-11H,5-8,12H2,1-4H3
InChIKeyLKGFOYVEAAMJLT-UHFFFAOYSA-N
MW416.53 g/mol
LogP3.56
Rot. Bonds8

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

2-[[5-[4-(1-fluorocyclopropyl)-6-methoxypyrimidin-5-yl]pyrazolo[4,3-d]pyrimidin-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 164881075) has the molecular formula C19H25FN6O2Si and a molecular weight of 416.53 g/mol. Its IUPAC name is 2-[[5-[4-(1-fluorocyclopropyl)-6-methoxypyrimidin-5-yl]pyrazolo[4,3-d]pyrimidin-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[5-[4-(1-fluorocyclopropyl)-6-methoxypyrimidin-5-yl]pyrazolo[4,3-d]pyrimidin-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID164881075
Molecular FormulaC19H25FN6O2Si
Molecular Weight416.53 g/mol
Exact Mass416.18
IUPAC Name2-[[5-[4-(1-fluorocyclopropyl)-6-methoxypyrimidin-5-yl]pyrazolo[4,3-d]pyrimidin-1-yl]methoxy]ethyl-trimethylsilane
SMILESCOc1ncnc(C2(F)CC2)c1-c1ncc2c(cnn2COCC[Si](C)(C)C)n1
InChIInChI=1S/C19H25FN6O2Si/c1-27-18-15(16(22-11-23-18)19(20)5-6-19)17-21-10-14-13(25-17)9-24-26(14)12-28-7-8-29(2,3)4/h9-11H,5-8,12H2,1-4H3
InChIKeyLKGFOYVEAAMJLT-UHFFFAOYSA-N
XLogP3.56
TPSA87.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.53
LogP ≤ 53.56
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-(1-fluorocyclopropyl)-6-methoxypyrimidin-5-yl]pyrazolo[4,3-d]pyrimidin-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[5-[4-(1-fluorocyclopropyl)-6-methoxypyrimidin-5-yl]pyrazolo[4,3-d]pyrimidin-1-yl]methoxy]ethyl-trimethylsilane (CID 164881075) is 2-[[5-[4-(1-fluorocyclopropyl)-6-methoxypyrimidin-5-yl]pyrazolo[4,3-d]pyrimidin-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[5-[4-(1-fluorocyclopropyl)-6-methoxypyrimidin-5-yl]pyrazolo[4,3-d]pyrimidin-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[5-[4-(1-fluorocyclopropyl)-6-methoxypyrimidin-5-yl]pyrazolo[4,3-d]pyrimidin-1-yl]methoxy]ethyl-trimethylsilane is COc1ncnc(C2(F)CC2)c1-c1ncc2c(cnn2COCC[Si](C)(C)C)n1.
What is the InChIKey of 2-[[5-[4-(1-fluorocyclopropyl)-6-methoxypyrimidin-5-yl]pyrazolo[4,3-d]pyrimidin-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is LKGFOYVEAAMJLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN6O2Si/c1-27-18-15(16(22-11-23-18)19(20)5-6-19)17-21-10-14-13(25-17)9-24-26(14)12-28-7-8-29(2,3)4/h9-11H,5-8,12H2,1-4H3.
What are the key properties of 2-[[5-[4-(1-fluorocyclopropyl)-6-methoxypyrimidin-5-yl]pyrazolo[4,3-d]pyrimidin-1-yl]methoxy]ethyl-trimethylsilane?
2-[[5-[4-(1-fluorocyclopropyl)-6-methoxypyrimidin-5-yl]pyrazolo[4,3-d]pyrimidin-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 416.53 g/mol, XLogP of 3.56, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[4-(1-fluorocyclopropyl)-6-methoxypyrimidin-5-yl]pyrazolo[4,3-d]pyrimidin-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 164881075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).