2,2-diphenyl-1-pyrimidin-2-ylazasilolidine

C19H19N3Si — CID 140624844

IUPAC2,2-diphenyl-1-pyrimidin-2-ylazasilolidine
SMILESc1ccc([Si]2(c3ccccc3)CCCN2c2ncccn2)cc1
InChIInChI=1S/C19H19N3Si/c1-3-9-17(10-4-1)23(18-11-5-2-6-12-18)16-8-15-22(23)19-20-13-7-14-21-19/h1-7,9-14H,8,15-16H2
InChIKeySGKLLPVXCJGXJR-UHFFFAOYSA-N
MW317.47 g/mol
LogP2.45
Rot. Bonds3

About 2,2-diphenyl-1-pyrimidin-2-ylazasilolidine

2,2-diphenyl-1-pyrimidin-2-ylazasilolidine (PubChem CID 140624844) has the molecular formula C19H19N3Si and a molecular weight of 317.47 g/mol. Its IUPAC name is 2,2-diphenyl-1-pyrimidin-2-ylazasilolidine.

Molecular Properties

Compound Name2,2-diphenyl-1-pyrimidin-2-ylazasilolidine
PubChem CID140624844
Molecular FormulaC19H19N3Si
Molecular Weight317.47 g/mol
Exact Mass317.13
IUPAC Name2,2-diphenyl-1-pyrimidin-2-ylazasilolidine
SMILESc1ccc([Si]2(c3ccccc3)CCCN2c2ncccn2)cc1
InChIInChI=1S/C19H19N3Si/c1-3-9-17(10-4-1)23(18-11-5-2-6-12-18)16-8-15-22(23)19-20-13-7-14-21-19/h1-7,9-14H,8,15-16H2
InChIKeySGKLLPVXCJGXJR-UHFFFAOYSA-N
XLogP2.45
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.47
LogP ≤ 52.45
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 2,2-diphenyl-1-pyrimidin-2-ylazasilolidine?
The IUPAC name of 2,2-diphenyl-1-pyrimidin-2-ylazasilolidine (CID 140624844) is 2,2-diphenyl-1-pyrimidin-2-ylazasilolidine.
What is the SMILES notation for 2,2-diphenyl-1-pyrimidin-2-ylazasilolidine?
The canonical SMILES for 2,2-diphenyl-1-pyrimidin-2-ylazasilolidine is c1ccc([Si]2(c3ccccc3)CCCN2c2ncccn2)cc1.
What is the InChIKey of 2,2-diphenyl-1-pyrimidin-2-ylazasilolidine?
The InChIKey is SGKLLPVXCJGXJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3Si/c1-3-9-17(10-4-1)23(18-11-5-2-6-12-18)16-8-15-22(23)19-20-13-7-14-21-19/h1-7,9-14H,8,15-16H2.
What are the key properties of 2,2-diphenyl-1-pyrimidin-2-ylazasilolidine?
2,2-diphenyl-1-pyrimidin-2-ylazasilolidine has a molecular weight of 317.47 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diphenyl-1-pyrimidin-2-ylazasilolidine is sourced from PubChem (CID 140624844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).