2-chloro-4-N-[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]-1-N,1-N-dimethylbenzene-1,4-diamine;N-[(E)-[5-(2-chloro-6-methyl-4-piperazin-1-ylanilino)-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-(2-chloro-6-methyl-4-pyrimidin-4-ylanilino)-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-(2-chloro-4-piperazin-1-ylanilino)-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;1-N-[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]-4-N,4-N-dimethylbenzene-1,4-diamine

C118H128Cl4F5N43O5 — CID 172951213

About 2-chloro-4-N-[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]-1-N,1-N-dimethylbenzene-1,4-diamine;N-[(E)-[5-(2-chloro-6-methyl-4-piperazin-1-ylanilino)-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-(2-chloro-6-methyl-4-pyrimidin-4-ylanilino)-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-(2-chloro-4-piperazin-1-ylanilino)-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;1-N-[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]-4-N,4-N-dimethylbenzene-1,4-diamine

2-chloro-4-N-[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]-1-N,1-N-dimethylbenzene-1,4-diamine;N-[(E)-[5-(2-chloro-6-methyl-4-piperazin-1-ylanilino)-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-(2-chloro-6-methyl-4-pyrimidin-4-ylanilino)-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-(2-chloro-4-piperazin-1-ylanilino)-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;1-N-[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]-4-N,4-N-dimethylbenzene-1,4-diamine (PubChem CID 172951213) has the molecular formula C118H128Cl4F5N43O5 and a molecular weight of 2465.42 g/mol. Its IUPAC name is 2-chloro-4-N-[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]-1-N,1-N-dimethylbenzene-1,4-diamine;N-[(E)-[5-(2-chloro-6-methyl-4-piperazin-1-ylanilino)-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-(2-chloro-6-methyl-4-pyrimidin-4-ylanilino)-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-(2-chloro-4-piperazin-1-ylanilino)-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;1-N-[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]-4-N,4-N-dimethylbenzene-1,4-diamine.

Molecular Properties

• Compound Name: 2-chloro-4-N-[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]-1-N,1-N-dimethylbenzene-1,4-diamine;N-[(E)-[5-(2-chloro-6-methyl-4-piperazin-1-ylanilino)-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-(2-chloro-6-methyl-4-pyrimidin-4-ylanilino)-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-(2-chloro-4-piperazin-1-ylanilino)-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;1-N-[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]-4-N,4-N-dimethylbenzene-1,4-diamine
• PubChem CID: 172951213
• Molecular Formula: C118H128Cl4F5N43O5
• Molecular Weight: 2465.42 g/mol
• Exact Mass: 2461.98
• IUPAC Name: 2-chloro-4-N-[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]-1-N,1-N-dimethylbenzene-1,4-diamine;N-[(E)-[5-(2-chloro-6-methyl-4-piperazin-1-ylanilino)-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-(2-chloro-6-methyl-4-pyrimidin-4-ylanilino)-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-(2-chloro-4-piperazin-1-ylanilino)-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;1-N-[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]-4-N,4-N-dimethylbenzene-1,4-diamine
• SMILES: CN(C)c1ccc(Nc2ccc(/C=N/Nc3ncc(F)c(N4CCOCC4)n3)nc2)cc1.CN(C)c1ccc(Nc2ccc(/C=N/Nc3ncc(F)c(N4CCOCC4)n3)nc2)cc1Cl.Cc1cc(-c2ccncn2)cc(Cl)c1Nc1ccc(/C=N/Nc2ncc(F)c(N3CCOCC3)n2)nc1.Cc1cc(N2CCNCC2)cc(Cl)c1Nc1ccc(/C=N/Nc2ncc(F)c(N3CCOCC3)n2)nc1.Fc1cnc(N/N=C/c2ccc(Nc3ccc(N4CCNCC4)cc3Cl)cn2)nc1N1CCOCC1
• InChI: InChI=1S/C25H29ClFN9O.C25H23ClFN9O.C24H27ClFN9O.C22H24ClFN8O.C22H25FN8O/c1-17-12-20(35-6-4-28-5-7-35)13-21(26)23(17)32-19-3-2-18(29-14-19)15-31-34-25-30-16-22(27)24(33-25)36-8-10-37-11-9-36;1-16-10-17(22-4-5-28-15-31-22)11-20(26)23(16)33-19-3-2-18(29-12-19)13-32-35-25-30-14-21(27)24(34-25)36-6-8-37-9-7-36;25-20-13-19(34-7-5-27-6-8-34)3-4-22(20)31-18-2-1-17(28-14-18)15-30-33-24-29-16-21(26)23(32-24)35-9-11-36-12-10-35;1-31(2)20-6-5-15(11-18(20)23)28-17-4-3-16(25-12-17)13-27-30-22-26-14-19(24)21(29-22)32-7-9-33-10-8-32;1-30(2)19-7-5-16(6-8-19)27-18-4-3-17(24-13-18)14-26-29-22-25-15-20(23)21(28-22)31-9-11-32-12-10-31/h2-3,12-16,28,32H,4-11H2,1H3,(H,30,33,34);2-5,10-15,33H,6-9H2,1H3,(H,30,34,35);1-4,13-16,27,31H,5-12H2,(H,29,32,33);3-6,11-14,28H,7-10H2,1-2H3,(H,26,29,30);3-8,13-15,27H,9-12H2,1-2H3,(H,25,28,29)/b31-15+;32-13+;30-15+;27-13+;26-14+
• InChIKey: MYTWZQVTHVPSSK-DJUDHMKDSA-N
• XLogP: 17.82
• TPSA: 500.60 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 48
• Rotatable Bonds: 35
• Heavy Atoms: 175
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2465.42
LogP ≤ 5	17.82
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	48

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', '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 2-chloro-4-N-[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]-1-N,1-N-dimethylbenzene-1,4-diamine;N-[(E)-[5-(2-chloro-6-methyl-4-piperazin-1-ylanilino)-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-(2-chloro-6-methyl-4-pyrimidin-4-ylanilino)-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-(2-chloro-4-piperazin-1-ylanilino)-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;1-N-[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]-4-N,4-N-dimethylbenzene-1,4-diamine?

The IUPAC name of 2-chloro-4-N-[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]-1-N,1-N-dimethylbenzene-1,4-diamine;N-[(E)-[5-(2-chloro-6-methyl-4-piperazin-1-ylanilino)-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-(2-chloro-6-methyl-4-pyrimidin-4-ylanilino)-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-(2-chloro-4-piperazin-1-ylanilino)-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;1-N-[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]-4-N,4-N-dimethylbenzene-1,4-diamine (CID 172951213) is 2-chloro-4-N-[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]-1-N,1-N-dimethylbenzene-1,4-diamine;N-[(E)-[5-(2-chloro-6-methyl-4-piperazin-1-ylanilino)-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-(2-chloro-6-methyl-4-pyrimidin-4-ylanilino)-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-(2-chloro-4-piperazin-1-ylanilino)-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;1-N-[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]-4-N,4-N-dimethylbenzene-1,4-diamine.

What is the SMILES notation for 2-chloro-4-N-[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]-1-N,1-N-dimethylbenzene-1,4-diamine;N-[(E)-[5-(2-chloro-6-methyl-4-piperazin-1-ylanilino)-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-(2-chloro-6-methyl-4-pyrimidin-4-ylanilino)-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-(2-chloro-4-piperazin-1-ylanilino)-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;1-N-[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]-4-N,4-N-dimethylbenzene-1,4-diamine?

The canonical SMILES for 2-chloro-4-N-[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]-1-N,1-N-dimethylbenzene-1,4-diamine;N-[(E)-[5-(2-chloro-6-methyl-4-piperazin-1-ylanilino)-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-(2-chloro-6-methyl-4-pyrimidin-4-ylanilino)-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-(2-chloro-4-piperazin-1-ylanilino)-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;1-N-[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]-4-N,4-N-dimethylbenzene-1,4-diamine is CN(C)c1ccc(Nc2ccc(/C=N/Nc3ncc(F)c(N4CCOCC4)n3)nc2)cc1.CN(C)c1ccc(Nc2ccc(/C=N/Nc3ncc(F)c(N4CCOCC4)n3)nc2)cc1Cl.Cc1cc(-c2ccncn2)cc(Cl)c1Nc1ccc(/C=N/Nc2ncc(F)c(N3CCOCC3)n2)nc1.Cc1cc(N2CCNCC2)cc(Cl)c1Nc1ccc(/C=N/Nc2ncc(F)c(N3CCOCC3)n2)nc1.Fc1cnc(N/N=C/c2ccc(Nc3ccc(N4CCNCC4)cc3Cl)cn2)nc1N1CCOCC1.

What is the InChIKey of 2-chloro-4-N-[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]-1-N,1-N-dimethylbenzene-1,4-diamine;N-[(E)-[5-(2-chloro-6-methyl-4-piperazin-1-ylanilino)-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-(2-chloro-6-methyl-4-pyrimidin-4-ylanilino)-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-(2-chloro-4-piperazin-1-ylanilino)-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;1-N-[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]-4-N,4-N-dimethylbenzene-1,4-diamine?

The InChIKey is MYTWZQVTHVPSSK-DJUDHMKDSA-N. The full InChI is InChI=1S/C25H29ClFN9O.C25H23ClFN9O.C24H27ClFN9O.C22H24ClFN8O.C22H25FN8O/c1-17-12-20(35-6-4-28-5-7-35)13-21(26)23(17)32-19-3-2-18(29-14-19)15-31-34-25-30-16-22(27)24(33-25)36-8-10-37-11-9-36;1-16-10-17(22-4-5-28-15-31-22)11-20(26)23(16)33-19-3-2-18(29-12-19)13-32-35-25-30-14-21(27)24(34-25)36-6-8-37-9-7-36;25-20-13-19(34-7-5-27-6-8-34)3-4-22(20)31-18-2-1-17(28-14-18)15-30-33-24-29-16-21(26)23(32-24)35-9-11-36-12-10-35;1-31(2)20-6-5-15(11-18(20)23)28-17-4-3-16(25-12-17)13-27-30-22-26-14-19(24)21(29-22)32-7-9-33-10-8-32;1-30(2)19-7-5-16(6-8-19)27-18-4-3-17(24-13-18)14-26-29-22-25-15-20(23)21(28-22)31-9-11-32-12-10-31/h2-3,12-16,28,32H,4-11H2,1H3,(H,30,33,34);2-5,10-15,33H,6-9H2,1H3,(H,30,34,35);1-4,13-16,27,31H,5-12H2,(H,29,32,33);3-6,11-14,28H,7-10H2,1-2H3,(H,26,29,30);3-8,13-15,27H,9-12H2,1-2H3,(H,25,28,29)/b31-15+;32-13+;30-15+;27-13+;26-14+.

What are the key properties of 2-chloro-4-N-[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]-1-N,1-N-dimethylbenzene-1,4-diamine;N-[(E)-[5-(2-chloro-6-methyl-4-piperazin-1-ylanilino)-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-(2-chloro-6-methyl-4-pyrimidin-4-ylanilino)-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-(2-chloro-4-piperazin-1-ylanilino)-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;1-N-[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]-4-N,4-N-dimethylbenzene-1,4-diamine?

2-chloro-4-N-[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]-1-N,1-N-dimethylbenzene-1,4-diamine;N-[(E)-[5-(2-chloro-6-methyl-4-piperazin-1-ylanilino)-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-(2-chloro-6-methyl-4-pyrimidin-4-ylanilino)-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-(2-chloro-4-piperazin-1-ylanilino)-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;1-N-[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]-4-N,4-N-dimethylbenzene-1,4-diamine has a molecular weight of 2465.42 g/mol, XLogP of 17.82, 35 rotatable bonds, 12 hydrogen bond donors, and 48 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-4-N-[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]-1-N,1-N-dimethylbenzene-1,4-diamine;N-[(E)-[5-(2-chloro-6-methyl-4-piperazin-1-ylanilino)-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-(2-chloro-6-methyl-4-pyrimidin-4-ylanilino)-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-(2-chloro-4-piperazin-1-ylanilino)-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;1-N-[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]-4-N,4-N-dimethylbenzene-1,4-diamine is sourced from PubChem (CID 172951213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).