tert-butyl N-[2-[4-(6-amino-3-pyridinyl)morpholin-2-yl]propan-2-yl]-N-methylcarbamate;tert-butyl N-[2-(4-benzylmorpholin-2-yl)propan-2-yl]carbamate;tert-butyl N-[2-(4-benzylmorpholin-2-yl)propan-2-yl]-N-methylcarbamate;bis(tert-butyl N-methyl-N-(2-morpholin-2-ylpropan-2-yl)carbamate);tert-butyl N-methyl-N-[2-[4-(6-nitro-3-pyridinyl)morpholin-2-yl]propan-2-yl]carbamate;5-fluoro-2-nitropyridine

C106H175FN18O22 — CID 158589220

About tert-butyl N-[2-[4-(6-amino-3-pyridinyl)morpholin-2-yl]propan-2-yl]-N-methylcarbamate;tert-butyl N-[2-(4-benzylmorpholin-2-yl)propan-2-yl]carbamate;tert-butyl N-[2-(4-benzylmorpholin-2-yl)propan-2-yl]-N-methylcarbamate;bis(tert-butyl N-methyl-N-(2-morpholin-2-ylpropan-2-yl)carbamate);tert-butyl N-methyl-N-[2-[4-(6-nitro-3-pyridinyl)morpholin-2-yl]propan-2-yl]carbamate;5-fluoro-2-nitropyridine

tert-butyl N-[2-[4-(6-amino-3-pyridinyl)morpholin-2-yl]propan-2-yl]-N-methylcarbamate;tert-butyl N-[2-(4-benzylmorpholin-2-yl)propan-2-yl]carbamate;tert-butyl N-[2-(4-benzylmorpholin-2-yl)propan-2-yl]-N-methylcarbamate;bis(tert-butyl N-methyl-N-(2-morpholin-2-ylpropan-2-yl)carbamate);tert-butyl N-methyl-N-[2-[4-(6-nitro-3-pyridinyl)morpholin-2-yl]propan-2-yl]carbamate;5-fluoro-2-nitropyridine (PubChem CID 158589220) has the molecular formula C106H175FN18O22 and a molecular weight of 2072.67 g/mol. Its IUPAC name is tert-butyl N-[2-[4-(6-amino-3-pyridinyl)morpholin-2-yl]propan-2-yl]-N-methylcarbamate;tert-butyl N-[2-(4-benzylmorpholin-2-yl)propan-2-yl]carbamate;tert-butyl N-[2-(4-benzylmorpholin-2-yl)propan-2-yl]-N-methylcarbamate;bis(tert-butyl N-methyl-N-(2-morpholin-2-ylpropan-2-yl)carbamate);tert-butyl N-methyl-N-[2-[4-(6-nitro-3-pyridinyl)morpholin-2-yl]propan-2-yl]carbamate;5-fluoro-2-nitropyridine.

Molecular Properties

• Compound Name: tert-butyl N-[2-[4-(6-amino-3-pyridinyl)morpholin-2-yl]propan-2-yl]-N-methylcarbamate;tert-butyl N-[2-(4-benzylmorpholin-2-yl)propan-2-yl]carbamate;tert-butyl N-[2-(4-benzylmorpholin-2-yl)propan-2-yl]-N-methylcarbamate;bis(tert-butyl N-methyl-N-(2-morpholin-2-ylpropan-2-yl)carbamate);tert-butyl N-methyl-N-[2-[4-(6-nitro-3-pyridinyl)morpholin-2-yl]propan-2-yl]carbamate;5-fluoro-2-nitropyridine
• PubChem CID: 158589220
• Molecular Formula: C106H175FN18O22
• Molecular Weight: 2072.67 g/mol
• Exact Mass: 2071.31
• IUPAC Name: tert-butyl N-[2-[4-(6-amino-3-pyridinyl)morpholin-2-yl]propan-2-yl]-N-methylcarbamate;tert-butyl N-[2-(4-benzylmorpholin-2-yl)propan-2-yl]carbamate;tert-butyl N-[2-(4-benzylmorpholin-2-yl)propan-2-yl]-N-methylcarbamate;bis(tert-butyl N-methyl-N-(2-morpholin-2-ylpropan-2-yl)carbamate);tert-butyl N-methyl-N-[2-[4-(6-nitro-3-pyridinyl)morpholin-2-yl]propan-2-yl]carbamate;5-fluoro-2-nitropyridine
• SMILES: CC(C)(C)OC(=O)NC(C)(C)C1CN(Cc2ccccc2)CCO1.CN(C(=O)OC(C)(C)C)C(C)(C)C1CN(Cc2ccccc2)CCO1.CN(C(=O)OC(C)(C)C)C(C)(C)C1CN(c2ccc(N)nc2)CCO1.CN(C(=O)OC(C)(C)C)C(C)(C)C1CN(c2ccc([N+](=O)[O-])nc2)CCO1.CN(C(=O)OC(C)(C)C)C(C)(C)C1CNCCO1.CN(C(=O)OC(C)(C)C)C(C)(C)C1CNCCO1.O=[N+]([O-])c1ccc(F)cn1
• InChI: InChI=1S/C20H32N2O3.C19H30N2O3.C18H28N4O5.C18H30N4O3.2C13H26N2O3.C5H3FN2O2/c1-19(2,3)25-18(23)21(6)20(4,5)17-15-22(12-13-24-17)14-16-10-8-7-9-11-16;1-18(2,3)24-17(22)20-19(4,5)16-14-21(11-12-23-16)13-15-9-7-6-8-10-15;1-17(2,3)27-16(23)20(6)18(4,5)14-12-21(9-10-26-14)13-7-8-15(19-11-13)22(24)25;1-17(2,3)25-16(23)21(6)18(4,5)14-12-22(9-10-24-14)13-7-8-15(19)20-11-13;2*1-12(2,3)18-11(16)15(6)13(4,5)10-9-14-7-8-17-10;6-4-1-2-5(7-3-4)8(9)10/h7-11,17H,12-15H2,1-6H3;6-10,16H,11-14H2,1-5H3,(H,20,22);7-8,11,14H,9-10,12H2,1-6H3;7-8,11,14H,9-10,12H2,1-6H3,(H2,19,20);2*10,14H,7-9H2,1-6H3;1-3H
• InChIKey: HUFRWTPTPIAALC-UHFFFAOYSA-N
• XLogP: 16.45
• TPSA: 429.40 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 32
• Rotatable Bonds: 20
• Heavy Atoms: 147
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2072.67
LogP ≤ 5	16.45
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[4-(6-amino-3-pyridinyl)morpholin-2-yl]propan-2-yl]-N-methylcarbamate;tert-butyl N-[2-(4-benzylmorpholin-2-yl)propan-2-yl]carbamate;tert-butyl N-[2-(4-benzylmorpholin-2-yl)propan-2-yl]-N-methylcarbamate;bis(tert-butyl N-methyl-N-(2-morpholin-2-ylpropan-2-yl)carbamate);tert-butyl N-methyl-N-[2-[4-(6-nitro-3-pyridinyl)morpholin-2-yl]propan-2-yl]carbamate;5-fluoro-2-nitropyridine?

The IUPAC name of tert-butyl N-[2-[4-(6-amino-3-pyridinyl)morpholin-2-yl]propan-2-yl]-N-methylcarbamate;tert-butyl N-[2-(4-benzylmorpholin-2-yl)propan-2-yl]carbamate;tert-butyl N-[2-(4-benzylmorpholin-2-yl)propan-2-yl]-N-methylcarbamate;bis(tert-butyl N-methyl-N-(2-morpholin-2-ylpropan-2-yl)carbamate);tert-butyl N-methyl-N-[2-[4-(6-nitro-3-pyridinyl)morpholin-2-yl]propan-2-yl]carbamate;5-fluoro-2-nitropyridine (CID 158589220) is tert-butyl N-[2-[4-(6-amino-3-pyridinyl)morpholin-2-yl]propan-2-yl]-N-methylcarbamate;tert-butyl N-[2-(4-benzylmorpholin-2-yl)propan-2-yl]carbamate;tert-butyl N-[2-(4-benzylmorpholin-2-yl)propan-2-yl]-N-methylcarbamate;bis(tert-butyl N-methyl-N-(2-morpholin-2-ylpropan-2-yl)carbamate);tert-butyl N-methyl-N-[2-[4-(6-nitro-3-pyridinyl)morpholin-2-yl]propan-2-yl]carbamate;5-fluoro-2-nitropyridine.

What is the SMILES notation for tert-butyl N-[2-[4-(6-amino-3-pyridinyl)morpholin-2-yl]propan-2-yl]-N-methylcarbamate;tert-butyl N-[2-(4-benzylmorpholin-2-yl)propan-2-yl]carbamate;tert-butyl N-[2-(4-benzylmorpholin-2-yl)propan-2-yl]-N-methylcarbamate;bis(tert-butyl N-methyl-N-(2-morpholin-2-ylpropan-2-yl)carbamate);tert-butyl N-methyl-N-[2-[4-(6-nitro-3-pyridinyl)morpholin-2-yl]propan-2-yl]carbamate;5-fluoro-2-nitropyridine?

The canonical SMILES for tert-butyl N-[2-[4-(6-amino-3-pyridinyl)morpholin-2-yl]propan-2-yl]-N-methylcarbamate;tert-butyl N-[2-(4-benzylmorpholin-2-yl)propan-2-yl]carbamate;tert-butyl N-[2-(4-benzylmorpholin-2-yl)propan-2-yl]-N-methylcarbamate;bis(tert-butyl N-methyl-N-(2-morpholin-2-ylpropan-2-yl)carbamate);tert-butyl N-methyl-N-[2-[4-(6-nitro-3-pyridinyl)morpholin-2-yl]propan-2-yl]carbamate;5-fluoro-2-nitropyridine is CC(C)(C)OC(=O)NC(C)(C)C1CN(Cc2ccccc2)CCO1.CN(C(=O)OC(C)(C)C)C(C)(C)C1CN(Cc2ccccc2)CCO1.CN(C(=O)OC(C)(C)C)C(C)(C)C1CN(c2ccc(N)nc2)CCO1.CN(C(=O)OC(C)(C)C)C(C)(C)C1CN(c2ccc([N+](=O)[O-])nc2)CCO1.CN(C(=O)OC(C)(C)C)C(C)(C)C1CNCCO1.CN(C(=O)OC(C)(C)C)C(C)(C)C1CNCCO1.O=[N+]([O-])c1ccc(F)cn1.

What is the InChIKey of tert-butyl N-[2-[4-(6-amino-3-pyridinyl)morpholin-2-yl]propan-2-yl]-N-methylcarbamate;tert-butyl N-[2-(4-benzylmorpholin-2-yl)propan-2-yl]carbamate;tert-butyl N-[2-(4-benzylmorpholin-2-yl)propan-2-yl]-N-methylcarbamate;bis(tert-butyl N-methyl-N-(2-morpholin-2-ylpropan-2-yl)carbamate);tert-butyl N-methyl-N-[2-[4-(6-nitro-3-pyridinyl)morpholin-2-yl]propan-2-yl]carbamate;5-fluoro-2-nitropyridine?

The InChIKey is HUFRWTPTPIAALC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O3.C19H30N2O3.C18H28N4O5.C18H30N4O3.2C13H26N2O3.C5H3FN2O2/c1-19(2,3)25-18(23)21(6)20(4,5)17-15-22(12-13-24-17)14-16-10-8-7-9-11-16;1-18(2,3)24-17(22)20-19(4,5)16-14-21(11-12-23-16)13-15-9-7-6-8-10-15;1-17(2,3)27-16(23)20(6)18(4,5)14-12-21(9-10-26-14)13-7-8-15(19-11-13)22(24)25;1-17(2,3)25-16(23)21(6)18(4,5)14-12-22(9-10-24-14)13-7-8-15(19)20-11-13;2*1-12(2,3)18-11(16)15(6)13(4,5)10-9-14-7-8-17-10;6-4-1-2-5(7-3-4)8(9)10/h7-11,17H,12-15H2,1-6H3;6-10,16H,11-14H2,1-5H3,(H,20,22);7-8,11,14H,9-10,12H2,1-6H3;7-8,11,14H,9-10,12H2,1-6H3,(H2,19,20);2*10,14H,7-9H2,1-6H3;1-3H.

What are the key properties of tert-butyl N-[2-[4-(6-amino-3-pyridinyl)morpholin-2-yl]propan-2-yl]-N-methylcarbamate;tert-butyl N-[2-(4-benzylmorpholin-2-yl)propan-2-yl]carbamate;tert-butyl N-[2-(4-benzylmorpholin-2-yl)propan-2-yl]-N-methylcarbamate;bis(tert-butyl N-methyl-N-(2-morpholin-2-ylpropan-2-yl)carbamate);tert-butyl N-methyl-N-[2-[4-(6-nitro-3-pyridinyl)morpholin-2-yl]propan-2-yl]carbamate;5-fluoro-2-nitropyridine?

tert-butyl N-[2-[4-(6-amino-3-pyridinyl)morpholin-2-yl]propan-2-yl]-N-methylcarbamate;tert-butyl N-[2-(4-benzylmorpholin-2-yl)propan-2-yl]carbamate;tert-butyl N-[2-(4-benzylmorpholin-2-yl)propan-2-yl]-N-methylcarbamate;bis(tert-butyl N-methyl-N-(2-morpholin-2-ylpropan-2-yl)carbamate);tert-butyl N-methyl-N-[2-[4-(6-nitro-3-pyridinyl)morpholin-2-yl]propan-2-yl]carbamate;5-fluoro-2-nitropyridine has a molecular weight of 2072.67 g/mol, XLogP of 16.45, 20 rotatable bonds, 4 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[2-[4-(6-amino-3-pyridinyl)morpholin-2-yl]propan-2-yl]-N-methylcarbamate;tert-butyl N-[2-(4-benzylmorpholin-2-yl)propan-2-yl]carbamate;tert-butyl N-[2-(4-benzylmorpholin-2-yl)propan-2-yl]-N-methylcarbamate;bis(tert-butyl N-methyl-N-(2-morpholin-2-ylpropan-2-yl)carbamate);tert-butyl N-methyl-N-[2-[4-(6-nitro-3-pyridinyl)morpholin-2-yl]propan-2-yl]carbamate;5-fluoro-2-nitropyridine is sourced from PubChem (CID 158589220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).