ethyl 1-[5-amino-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrimidin-4-yl]piperidine-3-carboxylate

C21H36N6O2 — CID 19142227

About ethyl 1-[5-amino-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrimidin-4-yl]piperidine-3-carboxylate

ethyl 1-[5-amino-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrimidin-4-yl]piperidine-3-carboxylate (PubChem CID 19142227) has the molecular formula C21H36N6O2 and a molecular weight of 404.56 g/mol. Its IUPAC name is ethyl 1-[5-amino-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrimidin-4-yl]piperidine-3-carboxylate.

Molecular Properties

• Compound Name: ethyl 1-[5-amino-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrimidin-4-yl]piperidine-3-carboxylate
• PubChem CID: 19142227
• Molecular Formula: C21H36N6O2
• Molecular Weight: 404.56 g/mol
• Exact Mass: 404.29
• IUPAC Name: ethyl 1-[5-amino-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrimidin-4-yl]piperidine-3-carboxylate
• SMILES: CCOC(=O)C1CCCN(c2ncnc(NC3CC(C)(C)NC(C)(C)C3)c2N)C1
• InChI: InChI=1S/C21H36N6O2/c1-6-29-19(28)14-8-7-9-27(12-14)18-16(22)17(23-13-24-18)25-15-10-20(2,3)26-21(4,5)11-15/h13-15,26H,6-12,22H2,1-5H3,(H,23,24,25)
• InChIKey: WFZRBZXMGZQYMB-UHFFFAOYSA-N
• XLogP: 2.56
• TPSA: 105.40 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	404.56
LogP ≤ 5	2.56
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[5-amino-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrimidin-4-yl]piperidine-3-carboxylate?

The IUPAC name of ethyl 1-[5-amino-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrimidin-4-yl]piperidine-3-carboxylate (CID 19142227) is ethyl 1-[5-amino-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrimidin-4-yl]piperidine-3-carboxylate.

What is the SMILES notation for ethyl 1-[5-amino-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrimidin-4-yl]piperidine-3-carboxylate?

The canonical SMILES for ethyl 1-[5-amino-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrimidin-4-yl]piperidine-3-carboxylate is CCOC(=O)C1CCCN(c2ncnc(NC3CC(C)(C)NC(C)(C)C3)c2N)C1.

What is the InChIKey of ethyl 1-[5-amino-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrimidin-4-yl]piperidine-3-carboxylate?

The InChIKey is WFZRBZXMGZQYMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36N6O2/c1-6-29-19(28)14-8-7-9-27(12-14)18-16(22)17(23-13-24-18)25-15-10-20(2,3)26-21(4,5)11-15/h13-15,26H,6-12,22H2,1-5H3,(H,23,24,25).

What are the key properties of ethyl 1-[5-amino-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrimidin-4-yl]piperidine-3-carboxylate?

ethyl 1-[5-amino-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrimidin-4-yl]piperidine-3-carboxylate has a molecular weight of 404.56 g/mol, XLogP of 2.56, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 1-[5-amino-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrimidin-4-yl]piperidine-3-carboxylate is sourced from PubChem (CID 19142227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).