tert-butyl N-[4-[(5-butan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]cyclohexyl]carbamate

C21H33N5O2 — CID 146502802

About tert-butyl N-[4-[(5-butan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]cyclohexyl]carbamate

tert-butyl N-[4-[(5-butan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]cyclohexyl]carbamate (PubChem CID 146502802) has the molecular formula C21H33N5O2 and a molecular weight of 387.53 g/mol. Its IUPAC name is tert-butyl N-[4-[(5-butan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]cyclohexyl]carbamate.

Molecular Properties

• Compound Name: tert-butyl N-[4-[(5-butan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]cyclohexyl]carbamate
• PubChem CID: 146502802
• Molecular Formula: C21H33N5O2
• Molecular Weight: 387.53 g/mol
• Exact Mass: 387.26
• IUPAC Name: tert-butyl N-[4-[(5-butan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]cyclohexyl]carbamate
• SMILES: CCC(C)c1cc(NC2CCC(NC(=O)OC(C)(C)C)CC2)n2nccc2n1
• InChI: InChI=1S/C21H33N5O2/c1-6-14(2)17-13-19(26-18(25-17)11-12-22-26)23-15-7-9-16(10-8-15)24-20(27)28-21(3,4)5/h11-16,23H,6-10H2,1-5H3,(H,24,27)
• InChIKey: OXLVDAWTCZWJES-UHFFFAOYSA-N
• XLogP: 4.49
• TPSA: 80.55 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	387.53
LogP ≤ 5	4.49
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[(5-butan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]cyclohexyl]carbamate?

The IUPAC name of tert-butyl N-[4-[(5-butan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]cyclohexyl]carbamate (CID 146502802) is tert-butyl N-[4-[(5-butan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]cyclohexyl]carbamate.

What is the SMILES notation for tert-butyl N-[4-[(5-butan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]cyclohexyl]carbamate?

The canonical SMILES for tert-butyl N-[4-[(5-butan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]cyclohexyl]carbamate is CCC(C)c1cc(NC2CCC(NC(=O)OC(C)(C)C)CC2)n2nccc2n1.

What is the InChIKey of tert-butyl N-[4-[(5-butan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]cyclohexyl]carbamate?

The InChIKey is OXLVDAWTCZWJES-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N5O2/c1-6-14(2)17-13-19(26-18(25-17)11-12-22-26)23-15-7-9-16(10-8-15)24-20(27)28-21(3,4)5/h11-16,23H,6-10H2,1-5H3,(H,24,27).

What are the key properties of tert-butyl N-[4-[(5-butan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]cyclohexyl]carbamate?

tert-butyl N-[4-[(5-butan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]cyclohexyl]carbamate has a molecular weight of 387.53 g/mol, XLogP of 4.49, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[4-[(5-butan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]cyclohexyl]carbamate is sourced from PubChem (CID 146502802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).