tert-butyl (7R)-2-[2-[2-tert-butyl-4-(3-methoxypropylamino)pyrimidin-5-yl]-2-oxoethyl]-2-(2-methylpropyl)-7-(2-phenylmorpholine-4-carbonyl)-5-azaspiro[2.5]octane-5-carboxylate

C41H61N5O6 — CID 143793132

About tert-butyl (7R)-2-[2-[2-tert-butyl-4-(3-methoxypropylamino)pyrimidin-5-yl]-2-oxoethyl]-2-(2-methylpropyl)-7-(2-phenylmorpholine-4-carbonyl)-5-azaspiro[2.5]octane-5-carboxylate

tert-butyl (7R)-2-[2-[2-tert-butyl-4-(3-methoxypropylamino)pyrimidin-5-yl]-2-oxoethyl]-2-(2-methylpropyl)-7-(2-phenylmorpholine-4-carbonyl)-5-azaspiro[2.5]octane-5-carboxylate (PubChem CID 143793132) has the molecular formula C41H61N5O6 and a molecular weight of 719.97 g/mol. Its IUPAC name is tert-butyl (7R)-2-[2-[2-tert-butyl-4-(3-methoxypropylamino)pyrimidin-5-yl]-2-oxoethyl]-2-(2-methylpropyl)-7-(2-phenylmorpholine-4-carbonyl)-5-azaspiro[2.5]octane-5-carboxylate.

Molecular Properties

• Compound Name: tert-butyl (7R)-2-[2-[2-tert-butyl-4-(3-methoxypropylamino)pyrimidin-5-yl]-2-oxoethyl]-2-(2-methylpropyl)-7-(2-phenylmorpholine-4-carbonyl)-5-azaspiro[2.5]octane-5-carboxylate
• PubChem CID: 143793132
• Molecular Formula: C41H61N5O6
• Molecular Weight: 719.97 g/mol
• Exact Mass: 719.46
• IUPAC Name: tert-butyl (7R)-2-[2-[2-tert-butyl-4-(3-methoxypropylamino)pyrimidin-5-yl]-2-oxoethyl]-2-(2-methylpropyl)-7-(2-phenylmorpholine-4-carbonyl)-5-azaspiro[2.5]octane-5-carboxylate
• SMILES: COCCCNc1nc(C(C)(C)C)ncc1C(=O)CC1(CC(C)C)CC12C[C@@H](C(=O)N1CCOC(c3ccccc3)C1)CN(C(=O)OC(C)(C)C)C2
• InChI: InChI=1S/C41H61N5O6/c1-28(2)20-40(22-32(47)31-23-43-36(38(3,4)5)44-34(31)42-16-13-18-50-9)26-41(40)21-30(24-46(27-41)37(49)52-39(6,7)8)35(48)45-17-19-51-33(25-45)29-14-11-10-12-15-29/h10-12,14-15,23,28,30,33H,13,16-22,24-27H2,1-9H3,(H,42,43,44)/t30-,33?,40?,41?/m1/s1
• InChIKey: HECMKMGANJKJJT-UPXANPRHSA-N
• XLogP: 7.07
• TPSA: 123.19 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 12
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	719.97
LogP ≤ 5	7.07
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl (7R)-2-[2-[2-tert-butyl-4-(3-methoxypropylamino)pyrimidin-5-yl]-2-oxoethyl]-2-(2-methylpropyl)-7-(2-phenylmorpholine-4-carbonyl)-5-azaspiro[2.5]octane-5-carboxylate?

The IUPAC name of tert-butyl (7R)-2-[2-[2-tert-butyl-4-(3-methoxypropylamino)pyrimidin-5-yl]-2-oxoethyl]-2-(2-methylpropyl)-7-(2-phenylmorpholine-4-carbonyl)-5-azaspiro[2.5]octane-5-carboxylate (CID 143793132) is tert-butyl (7R)-2-[2-[2-tert-butyl-4-(3-methoxypropylamino)pyrimidin-5-yl]-2-oxoethyl]-2-(2-methylpropyl)-7-(2-phenylmorpholine-4-carbonyl)-5-azaspiro[2.5]octane-5-carboxylate.

What is the SMILES notation for tert-butyl (7R)-2-[2-[2-tert-butyl-4-(3-methoxypropylamino)pyrimidin-5-yl]-2-oxoethyl]-2-(2-methylpropyl)-7-(2-phenylmorpholine-4-carbonyl)-5-azaspiro[2.5]octane-5-carboxylate?

The canonical SMILES for tert-butyl (7R)-2-[2-[2-tert-butyl-4-(3-methoxypropylamino)pyrimidin-5-yl]-2-oxoethyl]-2-(2-methylpropyl)-7-(2-phenylmorpholine-4-carbonyl)-5-azaspiro[2.5]octane-5-carboxylate is COCCCNc1nc(C(C)(C)C)ncc1C(=O)CC1(CC(C)C)CC12C[C@@H](C(=O)N1CCOC(c3ccccc3)C1)CN(C(=O)OC(C)(C)C)C2.

What is the InChIKey of tert-butyl (7R)-2-[2-[2-tert-butyl-4-(3-methoxypropylamino)pyrimidin-5-yl]-2-oxoethyl]-2-(2-methylpropyl)-7-(2-phenylmorpholine-4-carbonyl)-5-azaspiro[2.5]octane-5-carboxylate?

The InChIKey is HECMKMGANJKJJT-UPXANPRHSA-N. The full InChI is InChI=1S/C41H61N5O6/c1-28(2)20-40(22-32(47)31-23-43-36(38(3,4)5)44-34(31)42-16-13-18-50-9)26-41(40)21-30(24-46(27-41)37(49)52-39(6,7)8)35(48)45-17-19-51-33(25-45)29-14-11-10-12-15-29/h10-12,14-15,23,28,30,33H,13,16-22,24-27H2,1-9H3,(H,42,43,44)/t30-,33?,40?,41?/m1/s1.

What are the key properties of tert-butyl (7R)-2-[2-[2-tert-butyl-4-(3-methoxypropylamino)pyrimidin-5-yl]-2-oxoethyl]-2-(2-methylpropyl)-7-(2-phenylmorpholine-4-carbonyl)-5-azaspiro[2.5]octane-5-carboxylate?

tert-butyl (7R)-2-[2-[2-tert-butyl-4-(3-methoxypropylamino)pyrimidin-5-yl]-2-oxoethyl]-2-(2-methylpropyl)-7-(2-phenylmorpholine-4-carbonyl)-5-azaspiro[2.5]octane-5-carboxylate has a molecular weight of 719.97 g/mol, XLogP of 7.07, 12 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl (7R)-2-[2-[2-tert-butyl-4-(3-methoxypropylamino)pyrimidin-5-yl]-2-oxoethyl]-2-(2-methylpropyl)-7-(2-phenylmorpholine-4-carbonyl)-5-azaspiro[2.5]octane-5-carboxylate is sourced from PubChem (CID 143793132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).