tert-butyl 4-[5-(4,4-dimethyl-1,4-azasilinan-1-yl)pyrimidin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate

C20H32N4O2Si — CID 176869251

About tert-butyl 4-[5-(4,4-dimethyl-1,4-azasilinan-1-yl)pyrimidin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate

tert-butyl 4-[5-(4,4-dimethyl-1,4-azasilinan-1-yl)pyrimidin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate (PubChem CID 176869251) has the molecular formula C20H32N4O2Si and a molecular weight of 388.59 g/mol. Its IUPAC name is tert-butyl 4-[5-(4,4-dimethyl-1,4-azasilinan-1-yl)pyrimidin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate.

Molecular Properties

• Compound Name: tert-butyl 4-[5-(4,4-dimethyl-1,4-azasilinan-1-yl)pyrimidin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
• PubChem CID: 176869251
• Molecular Formula: C20H32N4O2Si
• Molecular Weight: 388.59 g/mol
• Exact Mass: 388.23
• IUPAC Name: tert-butyl 4-[5-(4,4-dimethyl-1,4-azasilinan-1-yl)pyrimidin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
• SMILES: CC(C)(C)OC(=O)N1CC=C(c2ncc(N3CC[Si](C)(C)CC3)cn2)CC1
• InChI: InChI=1S/C20H32N4O2Si/c1-20(2,3)26-19(25)24-8-6-16(7-9-24)18-21-14-17(15-22-18)23-10-12-27(4,5)13-11-23/h6,14-15H,7-13H2,1-5H3
• InChIKey: JZDGKHRFXBSUFH-UHFFFAOYSA-N
• XLogP: 4.03
• TPSA: 58.56 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	388.59
LogP ≤ 5	4.03
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[5-(4,4-dimethyl-1,4-azasilinan-1-yl)pyrimidin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate?

The IUPAC name of tert-butyl 4-[5-(4,4-dimethyl-1,4-azasilinan-1-yl)pyrimidin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate (CID 176869251) is tert-butyl 4-[5-(4,4-dimethyl-1,4-azasilinan-1-yl)pyrimidin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate.

What is the SMILES notation for tert-butyl 4-[5-(4,4-dimethyl-1,4-azasilinan-1-yl)pyrimidin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate?

The canonical SMILES for tert-butyl 4-[5-(4,4-dimethyl-1,4-azasilinan-1-yl)pyrimidin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate is CC(C)(C)OC(=O)N1CC=C(c2ncc(N3CC[Si](C)(C)CC3)cn2)CC1.

What is the InChIKey of tert-butyl 4-[5-(4,4-dimethyl-1,4-azasilinan-1-yl)pyrimidin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate?

The InChIKey is JZDGKHRFXBSUFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O2Si/c1-20(2,3)26-19(25)24-8-6-16(7-9-24)18-21-14-17(15-22-18)23-10-12-27(4,5)13-11-23/h6,14-15H,7-13H2,1-5H3.

What are the key properties of tert-butyl 4-[5-(4,4-dimethyl-1,4-azasilinan-1-yl)pyrimidin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate?

tert-butyl 4-[5-(4,4-dimethyl-1,4-azasilinan-1-yl)pyrimidin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate has a molecular weight of 388.59 g/mol, XLogP of 4.03, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 4-[5-(4,4-dimethyl-1,4-azasilinan-1-yl)pyrimidin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate is sourced from PubChem (CID 176869251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).