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

C19H24F2N6O2Si — CID 164881442

IUPAC2-[[5-[4-cyclopropyl-6-(difluoromethoxy)pyrimidin-5-yl]pyrazolo[4,3-d]pyrimidin-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1ncc2nc(-c3c(OC(F)F)ncnc3C3CC3)ncc21
InChIInChI=1S/C19H24F2N6O2Si/c1-30(2,3)7-6-28-11-27-14-9-22-17(26-13(14)8-25-27)15-16(12-4-5-12)23-10-24-18(15)29-19(20)21/h8-10,12,19H,4-7,11H2,1-3H3
InChIKeyJGVDUPWPAQZMBR-UHFFFAOYSA-N
MW434.52 g/mol
LogP4.07
Rot. Bonds9

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

2-[[5-[4-cyclopropyl-6-(difluoromethoxy)pyrimidin-5-yl]pyrazolo[4,3-d]pyrimidin-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 164881442) has the molecular formula C19H24F2N6O2Si and a molecular weight of 434.52 g/mol. Its IUPAC name is 2-[[5-[4-cyclopropyl-6-(difluoromethoxy)pyrimidin-5-yl]pyrazolo[4,3-d]pyrimidin-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[5-[4-cyclopropyl-6-(difluoromethoxy)pyrimidin-5-yl]pyrazolo[4,3-d]pyrimidin-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID164881442
Molecular FormulaC19H24F2N6O2Si
Molecular Weight434.52 g/mol
Exact Mass434.17
IUPAC Name2-[[5-[4-cyclopropyl-6-(difluoromethoxy)pyrimidin-5-yl]pyrazolo[4,3-d]pyrimidin-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1ncc2nc(-c3c(OC(F)F)ncnc3C3CC3)ncc21
InChIInChI=1S/C19H24F2N6O2Si/c1-30(2,3)7-6-28-11-27-14-9-22-17(26-13(14)8-25-27)15-16(12-4-5-12)23-10-24-18(15)29-19(20)21/h8-10,12,19H,4-7,11H2,1-3H3
InChIKeyJGVDUPWPAQZMBR-UHFFFAOYSA-N
XLogP4.07
TPSA87.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.52
LogP ≤ 54.07
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-cyclopropyl-6-(difluoromethoxy)pyrimidin-5-yl]pyrazolo[4,3-d]pyrimidin-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[5-[4-cyclopropyl-6-(difluoromethoxy)pyrimidin-5-yl]pyrazolo[4,3-d]pyrimidin-1-yl]methoxy]ethyl-trimethylsilane (CID 164881442) is 2-[[5-[4-cyclopropyl-6-(difluoromethoxy)pyrimidin-5-yl]pyrazolo[4,3-d]pyrimidin-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[5-[4-cyclopropyl-6-(difluoromethoxy)pyrimidin-5-yl]pyrazolo[4,3-d]pyrimidin-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[5-[4-cyclopropyl-6-(difluoromethoxy)pyrimidin-5-yl]pyrazolo[4,3-d]pyrimidin-1-yl]methoxy]ethyl-trimethylsilane is C[Si](C)(C)CCOCn1ncc2nc(-c3c(OC(F)F)ncnc3C3CC3)ncc21.
What is the InChIKey of 2-[[5-[4-cyclopropyl-6-(difluoromethoxy)pyrimidin-5-yl]pyrazolo[4,3-d]pyrimidin-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is JGVDUPWPAQZMBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F2N6O2Si/c1-30(2,3)7-6-28-11-27-14-9-22-17(26-13(14)8-25-27)15-16(12-4-5-12)23-10-24-18(15)29-19(20)21/h8-10,12,19H,4-7,11H2,1-3H3.
What are the key properties of 2-[[5-[4-cyclopropyl-6-(difluoromethoxy)pyrimidin-5-yl]pyrazolo[4,3-d]pyrimidin-1-yl]methoxy]ethyl-trimethylsilane?
2-[[5-[4-cyclopropyl-6-(difluoromethoxy)pyrimidin-5-yl]pyrazolo[4,3-d]pyrimidin-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 434.52 g/mol, XLogP of 4.07, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[4-cyclopropyl-6-(difluoromethoxy)pyrimidin-5-yl]pyrazolo[4,3-d]pyrimidin-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 164881442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).