tert-butyl 4-imidazo[1,2-a]pyrimidin-3-ylpiperidine-1-carboxylate

C16H22N4O2 — CID 23084107

IUPACtert-butyl 4-imidazo[1,2-a]pyrimidin-3-ylpiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2cnc3ncccn23)CC1
InChIInChI=1S/C16H22N4O2/c1-16(2,3)22-15(21)19-9-5-12(6-10-19)13-11-18-14-17-7-4-8-20(13)14/h4,7-8,11-12H,5-6,9-10H2,1-3H3
InChIKeyPFPJCDGMYIMSNX-UHFFFAOYSA-N
MW302.38 g/mol
LogP2.84
Rot. Bonds1

About tert-butyl 4-imidazo[1,2-a]pyrimidin-3-ylpiperidine-1-carboxylate

tert-butyl 4-imidazo[1,2-a]pyrimidin-3-ylpiperidine-1-carboxylate (PubChem CID 23084107) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is tert-butyl 4-imidazo[1,2-a]pyrimidin-3-ylpiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-imidazo[1,2-a]pyrimidin-3-ylpiperidine-1-carboxylate
PubChem CID23084107
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Nametert-butyl 4-imidazo[1,2-a]pyrimidin-3-ylpiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2cnc3ncccn23)CC1
InChIInChI=1S/C16H22N4O2/c1-16(2,3)22-15(21)19-9-5-12(6-10-19)13-11-18-14-17-7-4-8-20(13)14/h4,7-8,11-12H,5-6,9-10H2,1-3H3
InChIKeyPFPJCDGMYIMSNX-UHFFFAOYSA-N
XLogP2.84
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze tert-butyl 4-imidazo[1,2-a]pyrimidin-3-ylpiperidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-imidazo[1,2-a]pyrimidin-3-ylpiperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-imidazo[1,2-a]pyrimidin-3-ylpiperidine-1-carboxylate (CID 23084107) is tert-butyl 4-imidazo[1,2-a]pyrimidin-3-ylpiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-imidazo[1,2-a]pyrimidin-3-ylpiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-imidazo[1,2-a]pyrimidin-3-ylpiperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(c2cnc3ncccn23)CC1.
What is the InChIKey of tert-butyl 4-imidazo[1,2-a]pyrimidin-3-ylpiperidine-1-carboxylate?
The InChIKey is PFPJCDGMYIMSNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-16(2,3)22-15(21)19-9-5-12(6-10-19)13-11-18-14-17-7-4-8-20(13)14/h4,7-8,11-12H,5-6,9-10H2,1-3H3.
What are the key properties of tert-butyl 4-imidazo[1,2-a]pyrimidin-3-ylpiperidine-1-carboxylate?
tert-butyl 4-imidazo[1,2-a]pyrimidin-3-ylpiperidine-1-carboxylate has a molecular weight of 302.38 g/mol, XLogP of 2.84, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-imidazo[1,2-a]pyrimidin-3-ylpiperidine-1-carboxylate is sourced from PubChem (CID 23084107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).