N-[(E)-1H-indol-3-ylmethylideneamino]-N-methyl-6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine;(E)-1-(1H-indol-3-yl)-N-[6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]oxymethanimine;1-(1H-indol-3-yl)-N-[[6-morpholin-4-yl-2-(2-pyridin-3-yloxyethoxy)pyrimidin-4-yl]methyl]methanimine;(E)-1-(3-methylphenyl)-N-[6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]oxymethanimine;1-(3-methylphenyl)-N-[[6-morpholin-4-yl-2-(2-pyridin-3-yloxyethoxy)pyrimidin-4-yl]methyl]methanimine

C121H129N29O14 — CID 172988232

About N-[(E)-1H-indol-3-ylmethylideneamino]-N-methyl-6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine;(E)-1-(1H-indol-3-yl)-N-[6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]oxymethanimine;1-(1H-indol-3-yl)-N-[[6-morpholin-4-yl-2-(2-pyridin-3-yloxyethoxy)pyrimidin-4-yl]methyl]methanimine;(E)-1-(3-methylphenyl)-N-[6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]oxymethanimine;1-(3-methylphenyl)-N-[[6-morpholin-4-yl-2-(2-pyridin-3-yloxyethoxy)pyrimidin-4-yl]methyl]methanimine

N-[(E)-1H-indol-3-ylmethylideneamino]-N-methyl-6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine;(E)-1-(1H-indol-3-yl)-N-[6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]oxymethanimine;1-(1H-indol-3-yl)-N-[[6-morpholin-4-yl-2-(2-pyridin-3-yloxyethoxy)pyrimidin-4-yl]methyl]methanimine;(E)-1-(3-methylphenyl)-N-[6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]oxymethanimine;1-(3-methylphenyl)-N-[[6-morpholin-4-yl-2-(2-pyridin-3-yloxyethoxy)pyrimidin-4-yl]methyl]methanimine (PubChem CID 172988232) has the molecular formula C121H129N29O14 and a molecular weight of 2213.55 g/mol. Its IUPAC name is N-[(E)-1H-indol-3-ylmethylideneamino]-N-methyl-6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine;(E)-1-(1H-indol-3-yl)-N-[6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]oxymethanimine;1-(1H-indol-3-yl)-N-[[6-morpholin-4-yl-2-(2-pyridin-3-yloxyethoxy)pyrimidin-4-yl]methyl]methanimine;(E)-1-(3-methylphenyl)-N-[6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]oxymethanimine;1-(3-methylphenyl)-N-[[6-morpholin-4-yl-2-(2-pyridin-3-yloxyethoxy)pyrimidin-4-yl]methyl]methanimine.

Molecular Properties

• Compound Name: N-[(E)-1H-indol-3-ylmethylideneamino]-N-methyl-6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine;(E)-1-(1H-indol-3-yl)-N-[6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]oxymethanimine;1-(1H-indol-3-yl)-N-[[6-morpholin-4-yl-2-(2-pyridin-3-yloxyethoxy)pyrimidin-4-yl]methyl]methanimine;(E)-1-(3-methylphenyl)-N-[6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]oxymethanimine;1-(3-methylphenyl)-N-[[6-morpholin-4-yl-2-(2-pyridin-3-yloxyethoxy)pyrimidin-4-yl]methyl]methanimine
• PubChem CID: 172988232
• Molecular Formula: C121H129N29O14
• Molecular Weight: 2213.55 g/mol
• Exact Mass: 2212.03
• IUPAC Name: N-[(E)-1H-indol-3-ylmethylideneamino]-N-methyl-6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine;(E)-1-(1H-indol-3-yl)-N-[6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]oxymethanimine;1-(1H-indol-3-yl)-N-[[6-morpholin-4-yl-2-(2-pyridin-3-yloxyethoxy)pyrimidin-4-yl]methyl]methanimine;(E)-1-(3-methylphenyl)-N-[6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]oxymethanimine;1-(3-methylphenyl)-N-[[6-morpholin-4-yl-2-(2-pyridin-3-yloxyethoxy)pyrimidin-4-yl]methyl]methanimine
• SMILES: C(=N/Cc1cc(N2CCOCC2)nc(OCCOc2cccnc2)n1)\c1c[nH]c2ccccc12.C(=N/Oc1cc(N2CCOCC2)nc(OCCc2ccccn2)n1)\c1c[nH]c2ccccc12.CN(/N=C/c1c[nH]c2ccccc12)c1cc(N2CCOCC2)nc(OCCc2ccccn2)n1.Cc1cccc(/C=N/Cc2cc(N3CCOCC3)nc(OCCOc3cccnc3)n2)c1.Cc1cccc(/C=N/Oc2cc(N3CCOCC3)nc(OCCc3ccccn3)n2)c1
• InChI: InChI=1S/C25H27N7O2.C25H26N6O3.C24H24N6O3.C24H27N5O3.C23H25N5O3/c1-31(28-18-19-17-27-22-8-3-2-7-21(19)22)23-16-24(32-11-14-33-15-12-32)30-25(29-23)34-13-9-20-6-4-5-10-26-20;1-2-6-23-22(5-1)19(16-28-23)15-27-17-20-14-24(31-8-10-32-11-9-31)30-25(29-20)34-13-12-33-21-4-3-7-26-18-21;1-2-7-21-20(6-1)18(16-26-21)17-27-33-23-15-22(30-10-13-31-14-11-30)28-24(29-23)32-12-8-19-5-3-4-9-25-19;1-19-4-2-5-20(14-19)16-26-17-21-15-23(29-8-10-30-11-9-29)28-24(27-21)32-13-12-31-22-6-3-7-25-18-22;1-18-5-4-6-19(15-18)17-25-31-22-16-21(28-10-13-29-14-11-28)26-23(27-22)30-12-8-20-7-2-3-9-24-20/h2-8,10,16-18,27H,9,11-15H2,1H3;1-7,14-16,18,28H,8-13,17H2;1-7,9,15-17,26H,8,10-14H2;2-7,14-16,18H,8-13,17H2,1H3;2-7,9,15-17H,8,10-14H2,1H3/b28-18+;27-15+;27-17+;26-16+;25-17+
• InChIKey: BHRROUVJAQDRMS-XNWKHWTJSA-N
• XLogP: 15.92
• TPSA: 451.18 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 40
• Rotatable Bonds: 42
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2213.55
LogP ≤ 5	15.92
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1H-indol-3-ylmethylideneamino]-N-methyl-6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine;(E)-1-(1H-indol-3-yl)-N-[6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]oxymethanimine;1-(1H-indol-3-yl)-N-[[6-morpholin-4-yl-2-(2-pyridin-3-yloxyethoxy)pyrimidin-4-yl]methyl]methanimine;(E)-1-(3-methylphenyl)-N-[6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]oxymethanimine;1-(3-methylphenyl)-N-[[6-morpholin-4-yl-2-(2-pyridin-3-yloxyethoxy)pyrimidin-4-yl]methyl]methanimine?

The IUPAC name of N-[(E)-1H-indol-3-ylmethylideneamino]-N-methyl-6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine;(E)-1-(1H-indol-3-yl)-N-[6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]oxymethanimine;1-(1H-indol-3-yl)-N-[[6-morpholin-4-yl-2-(2-pyridin-3-yloxyethoxy)pyrimidin-4-yl]methyl]methanimine;(E)-1-(3-methylphenyl)-N-[6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]oxymethanimine;1-(3-methylphenyl)-N-[[6-morpholin-4-yl-2-(2-pyridin-3-yloxyethoxy)pyrimidin-4-yl]methyl]methanimine (CID 172988232) is N-[(E)-1H-indol-3-ylmethylideneamino]-N-methyl-6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine;(E)-1-(1H-indol-3-yl)-N-[6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]oxymethanimine;1-(1H-indol-3-yl)-N-[[6-morpholin-4-yl-2-(2-pyridin-3-yloxyethoxy)pyrimidin-4-yl]methyl]methanimine;(E)-1-(3-methylphenyl)-N-[6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]oxymethanimine;1-(3-methylphenyl)-N-[[6-morpholin-4-yl-2-(2-pyridin-3-yloxyethoxy)pyrimidin-4-yl]methyl]methanimine.

What is the SMILES notation for N-[(E)-1H-indol-3-ylmethylideneamino]-N-methyl-6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine;(E)-1-(1H-indol-3-yl)-N-[6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]oxymethanimine;1-(1H-indol-3-yl)-N-[[6-morpholin-4-yl-2-(2-pyridin-3-yloxyethoxy)pyrimidin-4-yl]methyl]methanimine;(E)-1-(3-methylphenyl)-N-[6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]oxymethanimine;1-(3-methylphenyl)-N-[[6-morpholin-4-yl-2-(2-pyridin-3-yloxyethoxy)pyrimidin-4-yl]methyl]methanimine?

The canonical SMILES for N-[(E)-1H-indol-3-ylmethylideneamino]-N-methyl-6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine;(E)-1-(1H-indol-3-yl)-N-[6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]oxymethanimine;1-(1H-indol-3-yl)-N-[[6-morpholin-4-yl-2-(2-pyridin-3-yloxyethoxy)pyrimidin-4-yl]methyl]methanimine;(E)-1-(3-methylphenyl)-N-[6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]oxymethanimine;1-(3-methylphenyl)-N-[[6-morpholin-4-yl-2-(2-pyridin-3-yloxyethoxy)pyrimidin-4-yl]methyl]methanimine is C(=N/Cc1cc(N2CCOCC2)nc(OCCOc2cccnc2)n1)\c1c[nH]c2ccccc12.C(=N/Oc1cc(N2CCOCC2)nc(OCCc2ccccn2)n1)\c1c[nH]c2ccccc12.CN(/N=C/c1c[nH]c2ccccc12)c1cc(N2CCOCC2)nc(OCCc2ccccn2)n1.Cc1cccc(/C=N/Cc2cc(N3CCOCC3)nc(OCCOc3cccnc3)n2)c1.Cc1cccc(/C=N/Oc2cc(N3CCOCC3)nc(OCCc3ccccn3)n2)c1.

What is the InChIKey of N-[(E)-1H-indol-3-ylmethylideneamino]-N-methyl-6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine;(E)-1-(1H-indol-3-yl)-N-[6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]oxymethanimine;1-(1H-indol-3-yl)-N-[[6-morpholin-4-yl-2-(2-pyridin-3-yloxyethoxy)pyrimidin-4-yl]methyl]methanimine;(E)-1-(3-methylphenyl)-N-[6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]oxymethanimine;1-(3-methylphenyl)-N-[[6-morpholin-4-yl-2-(2-pyridin-3-yloxyethoxy)pyrimidin-4-yl]methyl]methanimine?

The InChIKey is BHRROUVJAQDRMS-XNWKHWTJSA-N. The full InChI is InChI=1S/C25H27N7O2.C25H26N6O3.C24H24N6O3.C24H27N5O3.C23H25N5O3/c1-31(28-18-19-17-27-22-8-3-2-7-21(19)22)23-16-24(32-11-14-33-15-12-32)30-25(29-23)34-13-9-20-6-4-5-10-26-20;1-2-6-23-22(5-1)19(16-28-23)15-27-17-20-14-24(31-8-10-32-11-9-31)30-25(29-20)34-13-12-33-21-4-3-7-26-18-21;1-2-7-21-20(6-1)18(16-26-21)17-27-33-23-15-22(30-10-13-31-14-11-30)28-24(29-23)32-12-8-19-5-3-4-9-25-19;1-19-4-2-5-20(14-19)16-26-17-21-15-23(29-8-10-30-11-9-29)28-24(27-21)32-13-12-31-22-6-3-7-25-18-22;1-18-5-4-6-19(15-18)17-25-31-22-16-21(28-10-13-29-14-11-28)26-23(27-22)30-12-8-20-7-2-3-9-24-20/h2-8,10,16-18,27H,9,11-15H2,1H3;1-7,14-16,18,28H,8-13,17H2;1-7,9,15-17,26H,8,10-14H2;2-7,14-16,18H,8-13,17H2,1H3;2-7,9,15-17H,8,10-14H2,1H3/b28-18+;27-15+;27-17+;26-16+;25-17+.

What are the key properties of N-[(E)-1H-indol-3-ylmethylideneamino]-N-methyl-6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine;(E)-1-(1H-indol-3-yl)-N-[6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]oxymethanimine;1-(1H-indol-3-yl)-N-[[6-morpholin-4-yl-2-(2-pyridin-3-yloxyethoxy)pyrimidin-4-yl]methyl]methanimine;(E)-1-(3-methylphenyl)-N-[6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]oxymethanimine;1-(3-methylphenyl)-N-[[6-morpholin-4-yl-2-(2-pyridin-3-yloxyethoxy)pyrimidin-4-yl]methyl]methanimine?

N-[(E)-1H-indol-3-ylmethylideneamino]-N-methyl-6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine;(E)-1-(1H-indol-3-yl)-N-[6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]oxymethanimine;1-(1H-indol-3-yl)-N-[[6-morpholin-4-yl-2-(2-pyridin-3-yloxyethoxy)pyrimidin-4-yl]methyl]methanimine;(E)-1-(3-methylphenyl)-N-[6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]oxymethanimine;1-(3-methylphenyl)-N-[[6-morpholin-4-yl-2-(2-pyridin-3-yloxyethoxy)pyrimidin-4-yl]methyl]methanimine has a molecular weight of 2213.55 g/mol, XLogP of 15.92, 42 rotatable bonds, 3 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(E)-1H-indol-3-ylmethylideneamino]-N-methyl-6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine;(E)-1-(1H-indol-3-yl)-N-[6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]oxymethanimine;1-(1H-indol-3-yl)-N-[[6-morpholin-4-yl-2-(2-pyridin-3-yloxyethoxy)pyrimidin-4-yl]methyl]methanimine;(E)-1-(3-methylphenyl)-N-[6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]oxymethanimine;1-(3-methylphenyl)-N-[[6-morpholin-4-yl-2-(2-pyridin-3-yloxyethoxy)pyrimidin-4-yl]methyl]methanimine is sourced from PubChem (CID 172988232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).