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

C142H160N36O13 — CID 172961395

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

N-[(E)-(3-ethylphenyl)methylideneamino]-6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine;N-[(E)-1H-indol-3-ylmethylideneamino]-N-methyl-6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine;N-[(E)-1-(3-methylphenyl)ethylideneamino]-6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine;bis(N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine);(E)-1-(3-methylphenyl)-N-[6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]oxymethanimine (PubChem CID 172961395) has the molecular formula C142H160N36O13 and a molecular weight of 2579.08 g/mol. Its IUPAC name is N-[(E)-(3-ethylphenyl)methylideneamino]-6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine;N-[(E)-1H-indol-3-ylmethylideneamino]-N-methyl-6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine;N-[(E)-1-(3-methylphenyl)ethylideneamino]-6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine;bis(N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine);(E)-1-(3-methylphenyl)-N-[6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]oxymethanimine.

Molecular Properties

• Compound Name: N-[(E)-(3-ethylphenyl)methylideneamino]-6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine;N-[(E)-1H-indol-3-ylmethylideneamino]-N-methyl-6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine;N-[(E)-1-(3-methylphenyl)ethylideneamino]-6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine;bis(N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine);(E)-1-(3-methylphenyl)-N-[6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]oxymethanimine
• PubChem CID: 172961395
• Molecular Formula: C142H160N36O13
• Molecular Weight: 2579.08 g/mol
• Exact Mass: 2577.30
• IUPAC Name: N-[(E)-(3-ethylphenyl)methylideneamino]-6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine;N-[(E)-1H-indol-3-ylmethylideneamino]-N-methyl-6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine;N-[(E)-1-(3-methylphenyl)ethylideneamino]-6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine;bis(N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine);(E)-1-(3-methylphenyl)-N-[6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]oxymethanimine
• SMILES: C/C(=N\Nc1cc(N2CCOCC2)nc(OCCc2ccccn2)n1)c1cccc(C)c1.CCc1cccc(/C=N/Nc2cc(N3CCOCC3)nc(OCCc3ccccn3)n2)c1.CN(/N=C/c1c[nH]c2ccccc12)c1cc(N2CCOCC2)nc(OCCc2ccccn2)n1.Cc1cccc(/C=N/Nc2cc(N3CCOCC3)nc(OCCc3ccccn3)n2)c1.Cc1cccc(/C=N/Nc2cc(N3CCOCC3)nc(OCCc3ccccn3)n2)c1.Cc1cccc(/C=N/Oc2cc(N3CCOCC3)nc(OCCc3ccccn3)n2)c1
• InChI: InChI=1S/C25H27N7O2.2C24H28N6O2.2C23H26N6O2.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;1-18-6-5-7-20(16-18)19(2)28-29-22-17-23(30-11-14-31-15-12-30)27-24(26-22)32-13-9-21-8-3-4-10-25-21;1-2-19-6-5-7-20(16-19)18-26-29-22-17-23(30-11-14-31-15-12-30)28-24(27-22)32-13-9-21-8-3-4-10-25-21;2*1-18-5-4-6-19(15-18)17-25-28-21-16-22(29-10-13-30-14-11-29)27-23(26-21)31-12-8-20-7-2-3-9-24-20;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;3-8,10,16-17H,9,11-15H2,1-2H3,(H,26,27,29);3-8,10,16-18H,2,9,11-15H2,1H3,(H,27,28,29);2*2-7,9,15-17H,8,10-14H2,1H3,(H,26,27,28);2-7,9,15-17H,8,10-14H2,1H3/b28-18+;28-19+;26-18+;3*25-17+
• InChIKey: LRPAUUQDBGBHCQ-NRCGCMAGSA-N
• XLogP: 19.31
• TPSA: 512.76 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 48
• Rotatable Bonds: 49
• Heavy Atoms: 191
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2579.08
LogP ≤ 5	19.31
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	48

Computed Properties (RDKit)

• Structural Alerts: {'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)-(3-ethylphenyl)methylideneamino]-6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine;N-[(E)-1H-indol-3-ylmethylideneamino]-N-methyl-6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine;N-[(E)-1-(3-methylphenyl)ethylideneamino]-6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine;bis(N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine);(E)-1-(3-methylphenyl)-N-[6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]oxymethanimine?

The IUPAC name of N-[(E)-(3-ethylphenyl)methylideneamino]-6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine;N-[(E)-1H-indol-3-ylmethylideneamino]-N-methyl-6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine;N-[(E)-1-(3-methylphenyl)ethylideneamino]-6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine;bis(N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine);(E)-1-(3-methylphenyl)-N-[6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]oxymethanimine (CID 172961395) is N-[(E)-(3-ethylphenyl)methylideneamino]-6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine;N-[(E)-1H-indol-3-ylmethylideneamino]-N-methyl-6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine;N-[(E)-1-(3-methylphenyl)ethylideneamino]-6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine;bis(N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine);(E)-1-(3-methylphenyl)-N-[6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]oxymethanimine.

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

The canonical SMILES for N-[(E)-(3-ethylphenyl)methylideneamino]-6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine;N-[(E)-1H-indol-3-ylmethylideneamino]-N-methyl-6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine;N-[(E)-1-(3-methylphenyl)ethylideneamino]-6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine;bis(N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine);(E)-1-(3-methylphenyl)-N-[6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]oxymethanimine is C/C(=N\Nc1cc(N2CCOCC2)nc(OCCc2ccccn2)n1)c1cccc(C)c1.CCc1cccc(/C=N/Nc2cc(N3CCOCC3)nc(OCCc3ccccn3)n2)c1.CN(/N=C/c1c[nH]c2ccccc12)c1cc(N2CCOCC2)nc(OCCc2ccccn2)n1.Cc1cccc(/C=N/Nc2cc(N3CCOCC3)nc(OCCc3ccccn3)n2)c1.Cc1cccc(/C=N/Nc2cc(N3CCOCC3)nc(OCCc3ccccn3)n2)c1.Cc1cccc(/C=N/Oc2cc(N3CCOCC3)nc(OCCc3ccccn3)n2)c1.

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

The InChIKey is LRPAUUQDBGBHCQ-NRCGCMAGSA-N. The full InChI is InChI=1S/C25H27N7O2.2C24H28N6O2.2C23H26N6O2.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;1-18-6-5-7-20(16-18)19(2)28-29-22-17-23(30-11-14-31-15-12-30)27-24(26-22)32-13-9-21-8-3-4-10-25-21;1-2-19-6-5-7-20(16-19)18-26-29-22-17-23(30-11-14-31-15-12-30)28-24(27-22)32-13-9-21-8-3-4-10-25-21;2*1-18-5-4-6-19(15-18)17-25-28-21-16-22(29-10-13-30-14-11-29)27-23(26-21)31-12-8-20-7-2-3-9-24-20;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;3-8,10,16-17H,9,11-15H2,1-2H3,(H,26,27,29);3-8,10,16-18H,2,9,11-15H2,1H3,(H,27,28,29);2*2-7,9,15-17H,8,10-14H2,1H3,(H,26,27,28);2-7,9,15-17H,8,10-14H2,1H3/b28-18+;28-19+;26-18+;3*25-17+.

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

N-[(E)-(3-ethylphenyl)methylideneamino]-6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine;N-[(E)-1H-indol-3-ylmethylideneamino]-N-methyl-6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine;N-[(E)-1-(3-methylphenyl)ethylideneamino]-6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine;bis(N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine);(E)-1-(3-methylphenyl)-N-[6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]oxymethanimine has a molecular weight of 2579.08 g/mol, XLogP of 19.31, 49 rotatable bonds, 5 hydrogen bond donors, and 48 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(E)-(3-ethylphenyl)methylideneamino]-6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine;N-[(E)-1H-indol-3-ylmethylideneamino]-N-methyl-6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine;N-[(E)-1-(3-methylphenyl)ethylideneamino]-6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine;bis(N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine);(E)-1-(3-methylphenyl)-N-[6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]oxymethanimine is sourced from PubChem (CID 172961395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).