2-[2-[2-[2-[[2-[[4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]amino]acetyl]amino]ethoxy]ethoxy]ethoxy]ethyl N-tert-butylcarbamate

C33H53ClN8O6 — CID 153449864

About 2-[2-[2-[2-[[2-[[4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]amino]acetyl]amino]ethoxy]ethoxy]ethoxy]ethyl N-tert-butylcarbamate

2-[2-[2-[2-[[2-[[4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]amino]acetyl]amino]ethoxy]ethoxy]ethoxy]ethyl N-tert-butylcarbamate (PubChem CID 153449864) has the molecular formula C33H53ClN8O6 and a molecular weight of 693.29 g/mol. Its IUPAC name is 2-[2-[2-[2-[[2-[[4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]amino]acetyl]amino]ethoxy]ethoxy]ethoxy]ethyl N-tert-butylcarbamate.

Molecular Properties

• Compound Name: 2-[2-[2-[2-[[2-[[4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]amino]acetyl]amino]ethoxy]ethoxy]ethoxy]ethyl N-tert-butylcarbamate
• PubChem CID: 153449864
• Molecular Formula: C33H53ClN8O6
• Molecular Weight: 693.29 g/mol
• Exact Mass: 692.38
• IUPAC Name: 2-[2-[2-[2-[[2-[[4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]amino]acetyl]amino]ethoxy]ethoxy]ethoxy]ethyl N-tert-butylcarbamate
• SMILES: Cn1ncc(-c2nc(NC3CCC(NCC(=O)NCCOCCOCCOCCOC(=O)NC(C)(C)C)CC3)ncc2Cl)c1CC1CC1
• InChI: InChI=1S/C33H53ClN8O6/c1-33(2,3)41-32(44)48-18-17-47-16-15-46-14-13-45-12-11-35-29(43)22-36-24-7-9-25(10-8-24)39-31-37-21-27(34)30(40-31)26-20-38-42(4)28(26)19-23-5-6-23/h20-21,23-25,36H,5-19,22H2,1-4H3,(H,35,43)(H,41,44)(H,37,39,40)
• InChIKey: DKLYIQMABDDQBI-UHFFFAOYSA-N
• XLogP: 3.49
• TPSA: 162.78 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 12
• Rotatable Bonds: 20
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	693.29
LogP ≤ 5	3.49
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-[[2-[[4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]amino]acetyl]amino]ethoxy]ethoxy]ethoxy]ethyl N-tert-butylcarbamate?

The IUPAC name of 2-[2-[2-[2-[[2-[[4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]amino]acetyl]amino]ethoxy]ethoxy]ethoxy]ethyl N-tert-butylcarbamate (CID 153449864) is 2-[2-[2-[2-[[2-[[4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]amino]acetyl]amino]ethoxy]ethoxy]ethoxy]ethyl N-tert-butylcarbamate.

What is the SMILES notation for 2-[2-[2-[2-[[2-[[4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]amino]acetyl]amino]ethoxy]ethoxy]ethoxy]ethyl N-tert-butylcarbamate?

The canonical SMILES for 2-[2-[2-[2-[[2-[[4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]amino]acetyl]amino]ethoxy]ethoxy]ethoxy]ethyl N-tert-butylcarbamate is Cn1ncc(-c2nc(NC3CCC(NCC(=O)NCCOCCOCCOCCOC(=O)NC(C)(C)C)CC3)ncc2Cl)c1CC1CC1.

What is the InChIKey of 2-[2-[2-[2-[[2-[[4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]amino]acetyl]amino]ethoxy]ethoxy]ethoxy]ethyl N-tert-butylcarbamate?

The InChIKey is DKLYIQMABDDQBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H53ClN8O6/c1-33(2,3)41-32(44)48-18-17-47-16-15-46-14-13-45-12-11-35-29(43)22-36-24-7-9-25(10-8-24)39-31-37-21-27(34)30(40-31)26-20-38-42(4)28(26)19-23-5-6-23/h20-21,23-25,36H,5-19,22H2,1-4H3,(H,35,43)(H,41,44)(H,37,39,40).

What are the key properties of 2-[2-[2-[2-[[2-[[4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]amino]acetyl]amino]ethoxy]ethoxy]ethoxy]ethyl N-tert-butylcarbamate?

2-[2-[2-[2-[[2-[[4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]amino]acetyl]amino]ethoxy]ethoxy]ethoxy]ethyl N-tert-butylcarbamate has a molecular weight of 693.29 g/mol, XLogP of 3.49, 20 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[2-[2-[[2-[[4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]amino]acetyl]amino]ethoxy]ethoxy]ethoxy]ethyl N-tert-butylcarbamate is sourced from PubChem (CID 153449864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).