4-(2-aminoethoxy)-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-4-carbonitrile;4-(2-aminoethoxy)-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-4-carboxylic acid;4-(2-azidoethoxy)-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-4-carbonitrile;2-chloro-4-methoxy-6-methylpyrimidine;1,4-dioxa-8-azaspiro[4.5]decane;4-(2-hydroxyethoxy)-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-4-carbonitrile;methane;8-(4-methoxy-6-methylpyrimidin-2-yl)-1,4-dioxa-8-azaspiro[4.5]decane

C83H125ClN26O17 — CID 158280466

About 4-(2-aminoethoxy)-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-4-carbonitrile;4-(2-aminoethoxy)-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-4-carboxylic acid;4-(2-azidoethoxy)-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-4-carbonitrile;2-chloro-4-methoxy-6-methylpyrimidine;1,4-dioxa-8-azaspiro[4.5]decane;4-(2-hydroxyethoxy)-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-4-carbonitrile;methane;8-(4-methoxy-6-methylpyrimidin-2-yl)-1,4-dioxa-8-azaspiro[4.5]decane

4-(2-aminoethoxy)-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-4-carbonitrile;4-(2-aminoethoxy)-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-4-carboxylic acid;4-(2-azidoethoxy)-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-4-carbonitrile;2-chloro-4-methoxy-6-methylpyrimidine;1,4-dioxa-8-azaspiro[4.5]decane;4-(2-hydroxyethoxy)-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-4-carbonitrile;methane;8-(4-methoxy-6-methylpyrimidin-2-yl)-1,4-dioxa-8-azaspiro[4.5]decane (PubChem CID 158280466) has the molecular formula C83H125ClN26O17 and a molecular weight of 1794.53 g/mol. Its IUPAC name is 4-(2-aminoethoxy)-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-4-carbonitrile;4-(2-aminoethoxy)-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-4-carboxylic acid;4-(2-azidoethoxy)-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-4-carbonitrile;2-chloro-4-methoxy-6-methylpyrimidine;1,4-dioxa-8-azaspiro[4.5]decane;4-(2-hydroxyethoxy)-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-4-carbonitrile;methane;8-(4-methoxy-6-methylpyrimidin-2-yl)-1,4-dioxa-8-azaspiro[4.5]decane.

Molecular Properties

• Compound Name: 4-(2-aminoethoxy)-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-4-carbonitrile;4-(2-aminoethoxy)-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-4-carboxylic acid;4-(2-azidoethoxy)-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-4-carbonitrile;2-chloro-4-methoxy-6-methylpyrimidine;1,4-dioxa-8-azaspiro[4.5]decane;4-(2-hydroxyethoxy)-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-4-carbonitrile;methane;8-(4-methoxy-6-methylpyrimidin-2-yl)-1,4-dioxa-8-azaspiro[4.5]decane
• PubChem CID: 158280466
• Molecular Formula: C83H125ClN26O17
• Molecular Weight: 1794.53 g/mol
• Exact Mass: 1792.94
• IUPAC Name: 4-(2-aminoethoxy)-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-4-carbonitrile;4-(2-aminoethoxy)-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-4-carboxylic acid;4-(2-azidoethoxy)-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-4-carbonitrile;2-chloro-4-methoxy-6-methylpyrimidine;1,4-dioxa-8-azaspiro[4.5]decane;4-(2-hydroxyethoxy)-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-4-carbonitrile;methane;8-(4-methoxy-6-methylpyrimidin-2-yl)-1,4-dioxa-8-azaspiro[4.5]decane
• SMILES: C.C1CC2(CCN1)OCCO2.COc1cc(C)nc(Cl)n1.COc1cc(C)nc(N2CCC(C#N)(OCCN)CC2)n1.COc1cc(C)nc(N2CCC(C#N)(OCCN=[N+]=[N-])CC2)n1.COc1cc(C)nc(N2CCC(C#N)(OCCO)CC2)n1.COc1cc(C)nc(N2CCC(OCCN)(C(=O)O)CC2)n1.COc1cc(C)nc(N2CCC3(CC2)OCCO3)n1
• InChI: InChI=1S/C14H19N7O2.C14H21N5O2.C14H22N4O4.C14H20N4O3.C13H19N3O3.C7H13NO2.C6H7ClN2O.CH4/c1-11-9-12(22-2)19-13(18-11)21-6-3-14(10-15,4-7-21)23-8-5-17-20-16;1-11-9-12(20-2)18-13(17-11)19-6-3-14(10-16,4-7-19)21-8-5-15;1-10-9-11(21-2)17-13(16-10)18-6-3-14(4-7-18,12(19)20)22-8-5-15;1-11-9-12(20-2)17-13(16-11)18-5-3-14(10-15,4-6-18)21-8-7-19;1-10-9-11(17-2)15-12(14-10)16-5-3-13(4-6-16)18-7-8-19-13;1-3-8-4-2-7(1)9-5-6-10-7;1-4-3-5(10-2)9-6(7)8-4;/h9H,3-8H2,1-2H3;9H,3-8,15H2,1-2H3;9H,3-8,15H2,1-2H3,(H,19,20);9,19H,3-8H2,1-2H3;9H,3-8H2,1-2H3;8H,1-6H2;3H,1-2H3;1H4
• InChIKey: GKDNQPNSMUHJMM-UHFFFAOYSA-N
• XLogP: 6.81
• TPSA: 541.83 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 40
• Rotatable Bonds: 25
• Heavy Atoms: 127
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1794.53
LogP ≤ 5	6.81
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethoxy)-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-4-carbonitrile;4-(2-aminoethoxy)-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-4-carboxylic acid;4-(2-azidoethoxy)-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-4-carbonitrile;2-chloro-4-methoxy-6-methylpyrimidine;1,4-dioxa-8-azaspiro[4.5]decane;4-(2-hydroxyethoxy)-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-4-carbonitrile;methane;8-(4-methoxy-6-methylpyrimidin-2-yl)-1,4-dioxa-8-azaspiro[4.5]decane?

The IUPAC name of 4-(2-aminoethoxy)-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-4-carbonitrile;4-(2-aminoethoxy)-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-4-carboxylic acid;4-(2-azidoethoxy)-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-4-carbonitrile;2-chloro-4-methoxy-6-methylpyrimidine;1,4-dioxa-8-azaspiro[4.5]decane;4-(2-hydroxyethoxy)-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-4-carbonitrile;methane;8-(4-methoxy-6-methylpyrimidin-2-yl)-1,4-dioxa-8-azaspiro[4.5]decane (CID 158280466) is 4-(2-aminoethoxy)-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-4-carbonitrile;4-(2-aminoethoxy)-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-4-carboxylic acid;4-(2-azidoethoxy)-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-4-carbonitrile;2-chloro-4-methoxy-6-methylpyrimidine;1,4-dioxa-8-azaspiro[4.5]decane;4-(2-hydroxyethoxy)-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-4-carbonitrile;methane;8-(4-methoxy-6-methylpyrimidin-2-yl)-1,4-dioxa-8-azaspiro[4.5]decane.

What is the SMILES notation for 4-(2-aminoethoxy)-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-4-carbonitrile;4-(2-aminoethoxy)-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-4-carboxylic acid;4-(2-azidoethoxy)-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-4-carbonitrile;2-chloro-4-methoxy-6-methylpyrimidine;1,4-dioxa-8-azaspiro[4.5]decane;4-(2-hydroxyethoxy)-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-4-carbonitrile;methane;8-(4-methoxy-6-methylpyrimidin-2-yl)-1,4-dioxa-8-azaspiro[4.5]decane?

The canonical SMILES for 4-(2-aminoethoxy)-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-4-carbonitrile;4-(2-aminoethoxy)-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-4-carboxylic acid;4-(2-azidoethoxy)-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-4-carbonitrile;2-chloro-4-methoxy-6-methylpyrimidine;1,4-dioxa-8-azaspiro[4.5]decane;4-(2-hydroxyethoxy)-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-4-carbonitrile;methane;8-(4-methoxy-6-methylpyrimidin-2-yl)-1,4-dioxa-8-azaspiro[4.5]decane is C.C1CC2(CCN1)OCCO2.COc1cc(C)nc(Cl)n1.COc1cc(C)nc(N2CCC(C#N)(OCCN)CC2)n1.COc1cc(C)nc(N2CCC(C#N)(OCCN=[N+]=[N-])CC2)n1.COc1cc(C)nc(N2CCC(C#N)(OCCO)CC2)n1.COc1cc(C)nc(N2CCC(OCCN)(C(=O)O)CC2)n1.COc1cc(C)nc(N2CCC3(CC2)OCCO3)n1.

What is the InChIKey of 4-(2-aminoethoxy)-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-4-carbonitrile;4-(2-aminoethoxy)-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-4-carboxylic acid;4-(2-azidoethoxy)-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-4-carbonitrile;2-chloro-4-methoxy-6-methylpyrimidine;1,4-dioxa-8-azaspiro[4.5]decane;4-(2-hydroxyethoxy)-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-4-carbonitrile;methane;8-(4-methoxy-6-methylpyrimidin-2-yl)-1,4-dioxa-8-azaspiro[4.5]decane?

The InChIKey is GKDNQPNSMUHJMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N7O2.C14H21N5O2.C14H22N4O4.C14H20N4O3.C13H19N3O3.C7H13NO2.C6H7ClN2O.CH4/c1-11-9-12(22-2)19-13(18-11)21-6-3-14(10-15,4-7-21)23-8-5-17-20-16;1-11-9-12(20-2)18-13(17-11)19-6-3-14(10-16,4-7-19)21-8-5-15;1-10-9-11(21-2)17-13(16-10)18-6-3-14(4-7-18,12(19)20)22-8-5-15;1-11-9-12(20-2)17-13(16-11)18-5-3-14(10-15,4-6-18)21-8-7-19;1-10-9-11(17-2)15-12(14-10)16-5-3-13(4-6-16)18-7-8-19-13;1-3-8-4-2-7(1)9-5-6-10-7;1-4-3-5(10-2)9-6(7)8-4;/h9H,3-8H2,1-2H3;9H,3-8,15H2,1-2H3;9H,3-8,15H2,1-2H3,(H,19,20);9,19H,3-8H2,1-2H3;9H,3-8H2,1-2H3;8H,1-6H2;3H,1-2H3;1H4.

What are the key properties of 4-(2-aminoethoxy)-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-4-carbonitrile;4-(2-aminoethoxy)-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-4-carboxylic acid;4-(2-azidoethoxy)-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-4-carbonitrile;2-chloro-4-methoxy-6-methylpyrimidine;1,4-dioxa-8-azaspiro[4.5]decane;4-(2-hydroxyethoxy)-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-4-carbonitrile;methane;8-(4-methoxy-6-methylpyrimidin-2-yl)-1,4-dioxa-8-azaspiro[4.5]decane?

4-(2-aminoethoxy)-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-4-carbonitrile;4-(2-aminoethoxy)-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-4-carboxylic acid;4-(2-azidoethoxy)-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-4-carbonitrile;2-chloro-4-methoxy-6-methylpyrimidine;1,4-dioxa-8-azaspiro[4.5]decane;4-(2-hydroxyethoxy)-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-4-carbonitrile;methane;8-(4-methoxy-6-methylpyrimidin-2-yl)-1,4-dioxa-8-azaspiro[4.5]decane has a molecular weight of 1794.53 g/mol, XLogP of 6.81, 25 rotatable bonds, 5 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2-aminoethoxy)-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-4-carbonitrile;4-(2-aminoethoxy)-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-4-carboxylic acid;4-(2-azidoethoxy)-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-4-carbonitrile;2-chloro-4-methoxy-6-methylpyrimidine;1,4-dioxa-8-azaspiro[4.5]decane;4-(2-hydroxyethoxy)-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-4-carbonitrile;methane;8-(4-methoxy-6-methylpyrimidin-2-yl)-1,4-dioxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 158280466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).