tert-butyl piperidine-1-carboxylate;2-(1-methylimidazol-2-yl)-6-(1-propan-2-ylpyrazol-3-yl)thieno[2,3-d]pyrimidin-4-amine

C26H36N8O2S — CID 164601280

About tert-butyl piperidine-1-carboxylate;2-(1-methylimidazol-2-yl)-6-(1-propan-2-ylpyrazol-3-yl)thieno[2,3-d]pyrimidin-4-amine

tert-butyl piperidine-1-carboxylate;2-(1-methylimidazol-2-yl)-6-(1-propan-2-ylpyrazol-3-yl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 164601280) has the molecular formula C26H36N8O2S and a molecular weight of 524.70 g/mol. Its IUPAC name is tert-butyl piperidine-1-carboxylate;2-(1-methylimidazol-2-yl)-6-(1-propan-2-ylpyrazol-3-yl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: tert-butyl piperidine-1-carboxylate;2-(1-methylimidazol-2-yl)-6-(1-propan-2-ylpyrazol-3-yl)thieno[2,3-d]pyrimidin-4-amine
• PubChem CID: 164601280
• Molecular Formula: C26H36N8O2S
• Molecular Weight: 524.70 g/mol
• Exact Mass: 524.27
• IUPAC Name: tert-butyl piperidine-1-carboxylate;2-(1-methylimidazol-2-yl)-6-(1-propan-2-ylpyrazol-3-yl)thieno[2,3-d]pyrimidin-4-amine
• SMILES: CC(C)(C)OC(=O)N1CCCCC1.CC(C)n1ccc(-c2cc3c(N)nc(-c4nccn4C)nc3s2)n1
• InChI: InChI=1S/C16H17N7S.C10H19NO2/c1-9(2)23-6-4-11(21-23)12-8-10-13(17)19-14(20-16(10)24-12)15-18-5-7-22(15)3;1-10(2,3)13-9(12)11-7-5-4-6-8-11/h4-9H,1-3H3,(H2,17,19,20);4-8H2,1-3H3
• InChIKey: IBXKJDQVZFONDV-UHFFFAOYSA-N
• XLogP: 5.53
• TPSA: 116.98 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 3
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	524.70
LogP ≤ 5	5.53
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of tert-butyl piperidine-1-carboxylate;2-(1-methylimidazol-2-yl)-6-(1-propan-2-ylpyrazol-3-yl)thieno[2,3-d]pyrimidin-4-amine?

The IUPAC name of tert-butyl piperidine-1-carboxylate;2-(1-methylimidazol-2-yl)-6-(1-propan-2-ylpyrazol-3-yl)thieno[2,3-d]pyrimidin-4-amine (CID 164601280) is tert-butyl piperidine-1-carboxylate;2-(1-methylimidazol-2-yl)-6-(1-propan-2-ylpyrazol-3-yl)thieno[2,3-d]pyrimidin-4-amine.

What is the SMILES notation for tert-butyl piperidine-1-carboxylate;2-(1-methylimidazol-2-yl)-6-(1-propan-2-ylpyrazol-3-yl)thieno[2,3-d]pyrimidin-4-amine?

The canonical SMILES for tert-butyl piperidine-1-carboxylate;2-(1-methylimidazol-2-yl)-6-(1-propan-2-ylpyrazol-3-yl)thieno[2,3-d]pyrimidin-4-amine is CC(C)(C)OC(=O)N1CCCCC1.CC(C)n1ccc(-c2cc3c(N)nc(-c4nccn4C)nc3s2)n1.

What is the InChIKey of tert-butyl piperidine-1-carboxylate;2-(1-methylimidazol-2-yl)-6-(1-propan-2-ylpyrazol-3-yl)thieno[2,3-d]pyrimidin-4-amine?

The InChIKey is IBXKJDQVZFONDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N7S.C10H19NO2/c1-9(2)23-6-4-11(21-23)12-8-10-13(17)19-14(20-16(10)24-12)15-18-5-7-22(15)3;1-10(2,3)13-9(12)11-7-5-4-6-8-11/h4-9H,1-3H3,(H2,17,19,20);4-8H2,1-3H3.

What are the key properties of tert-butyl piperidine-1-carboxylate;2-(1-methylimidazol-2-yl)-6-(1-propan-2-ylpyrazol-3-yl)thieno[2,3-d]pyrimidin-4-amine?

tert-butyl piperidine-1-carboxylate;2-(1-methylimidazol-2-yl)-6-(1-propan-2-ylpyrazol-3-yl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 524.70 g/mol, XLogP of 5.53, 3 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl piperidine-1-carboxylate;2-(1-methylimidazol-2-yl)-6-(1-propan-2-ylpyrazol-3-yl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 164601280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).