[1,3,4]azadiphospholo[1,2-a]pyrimidin-3-yloxy-tert-butyl-dimethylsilane

C11H18N2OP2Si — CID 177439262

IUPAC[1,3,4]azadiphospholo[1,2-a]pyrimidin-3-yloxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)Oc1ppc2ncccn12
InChIInChI=1S/C11H18N2OP2Si/c1-11(2,3)17(4,5)14-10-13-8-6-7-12-9(13)15-16-10/h6-8H,1-5H3
InChIKeyABJNMEGEJZUZJU-UHFFFAOYSA-N
MW284.31 g/mol
LogP4.88
Rot. Bonds2

About [1,3,4]azadiphospholo[1,2-a]pyrimidin-3-yloxy-tert-butyl-dimethylsilane

[1,3,4]azadiphospholo[1,2-a]pyrimidin-3-yloxy-tert-butyl-dimethylsilane (PubChem CID 177439262) has the molecular formula C11H18N2OP2Si and a molecular weight of 284.31 g/mol. Its IUPAC name is [1,3,4]azadiphospholo[1,2-a]pyrimidin-3-yloxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[1,3,4]azadiphospholo[1,2-a]pyrimidin-3-yloxy-tert-butyl-dimethylsilane
PubChem CID177439262
Molecular FormulaC11H18N2OP2Si
Molecular Weight284.31 g/mol
Exact Mass284.07
IUPAC Name[1,3,4]azadiphospholo[1,2-a]pyrimidin-3-yloxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)Oc1ppc2ncccn12
InChIInChI=1S/C11H18N2OP2Si/c1-11(2,3)17(4,5)14-10-13-8-6-7-12-9(13)15-16-10/h6-8H,1-5H3
InChIKeyABJNMEGEJZUZJU-UHFFFAOYSA-N
XLogP4.88
TPSA26.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [1,3,4]azadiphospholo[1,2-a]pyrimidin-3-yloxy-tert-butyl-dimethylsilane?
The IUPAC name of [1,3,4]azadiphospholo[1,2-a]pyrimidin-3-yloxy-tert-butyl-dimethylsilane (CID 177439262) is [1,3,4]azadiphospholo[1,2-a]pyrimidin-3-yloxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [1,3,4]azadiphospholo[1,2-a]pyrimidin-3-yloxy-tert-butyl-dimethylsilane?
The canonical SMILES for [1,3,4]azadiphospholo[1,2-a]pyrimidin-3-yloxy-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)Oc1ppc2ncccn12.
What is the InChIKey of [1,3,4]azadiphospholo[1,2-a]pyrimidin-3-yloxy-tert-butyl-dimethylsilane?
The InChIKey is ABJNMEGEJZUZJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OP2Si/c1-11(2,3)17(4,5)14-10-13-8-6-7-12-9(13)15-16-10/h6-8H,1-5H3.
What are the key properties of [1,3,4]azadiphospholo[1,2-a]pyrimidin-3-yloxy-tert-butyl-dimethylsilane?
[1,3,4]azadiphospholo[1,2-a]pyrimidin-3-yloxy-tert-butyl-dimethylsilane has a molecular weight of 284.31 g/mol, XLogP of 4.88, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1,3,4]azadiphospholo[1,2-a]pyrimidin-3-yloxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 177439262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).