N-[(E)-[5-[3-chloro-5-(3-methylpyrazin-2-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-5-(4-methylpyrimidin-2-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-5-(5-methylpyrimidin-4-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-methyl-5-(2-methylpyrimidin-4-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine

C101H95Cl3F4N36O4 — CID 172984748

About N-[(E)-[5-[3-chloro-5-(3-methylpyrazin-2-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-5-(4-methylpyrimidin-2-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-5-(5-methylpyrimidin-4-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-methyl-5-(2-methylpyrimidin-4-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine

N-[(E)-[5-[3-chloro-5-(3-methylpyrazin-2-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-5-(4-methylpyrimidin-2-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-5-(5-methylpyrimidin-4-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-methyl-5-(2-methylpyrimidin-4-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine (PubChem CID 172984748) has the molecular formula C101H95Cl3F4N36O4 and a molecular weight of 2059.47 g/mol. Its IUPAC name is N-[(E)-[5-[3-chloro-5-(3-methylpyrazin-2-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-5-(4-methylpyrimidin-2-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-5-(5-methylpyrimidin-4-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-methyl-5-(2-methylpyrimidin-4-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine.

Molecular Properties

• Compound Name: N-[(E)-[5-[3-chloro-5-(3-methylpyrazin-2-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-5-(4-methylpyrimidin-2-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-5-(5-methylpyrimidin-4-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-methyl-5-(2-methylpyrimidin-4-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine
• PubChem CID: 172984748
• Molecular Formula: C101H95Cl3F4N36O4
• Molecular Weight: 2059.47 g/mol
• Exact Mass: 2056.73
• IUPAC Name: N-[(E)-[5-[3-chloro-5-(3-methylpyrazin-2-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-5-(4-methylpyrimidin-2-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-5-(5-methylpyrimidin-4-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-methyl-5-(2-methylpyrimidin-4-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine
• SMILES: Cc1cc(Nc2ccc(/C=N/Nc3ncc(F)c(N4CCOCC4)n3)nc2)cc(-c2ccnc(C)n2)c1.Cc1ccnc(-c2cc(Cl)cc(Nc3ccc(/C=N/Nc4ncc(F)c(N5CCOCC5)n4)nc3)c2)n1.Cc1cncnc1-c1cc(Cl)cc(Nc2ccc(/C=N/Nc3ncc(F)c(N4CCOCC4)n3)nc2)c1.Cc1nccnc1-c1cc(Cl)cc(Nc2ccc(/C=N/Nc3ncc(F)c(N4CCOCC4)n3)nc2)c1
• InChI: InChI=1S/C26H26FN9O.3C25H23ClFN9O/c1-17-11-19(24-5-6-28-18(2)32-24)13-22(12-17)33-21-4-3-20(29-14-21)15-31-35-26-30-16-23(27)25(34-26)36-7-9-37-10-8-36;1-16-11-28-15-31-23(16)17-8-18(26)10-21(9-17)33-20-3-2-19(29-12-20)13-32-35-25-30-14-22(27)24(34-25)36-4-6-37-7-5-36;1-16-23(29-5-4-28-16)17-10-18(26)12-21(11-17)33-20-3-2-19(30-13-20)14-32-35-25-31-15-22(27)24(34-25)36-6-8-37-9-7-36;1-16-4-5-28-23(32-16)17-10-18(26)12-21(11-17)33-20-3-2-19(29-13-20)14-31-35-25-30-15-22(27)24(34-25)36-6-8-37-9-7-36/h3-6,11-16,33H,7-10H2,1-2H3,(H,30,34,35);2-3,8-15,33H,4-7H2,1H3,(H,30,34,35);2-5,10-15,33H,6-9H2,1H3,(H,31,34,35);2-5,10-15,33H,6-9H2,1H3,(H,30,34,35)/b31-15+;32-13+;32-14+;31-14+
• InChIKey: ULUOFNRAZJPTHV-OLOTXYCFSA-N
• XLogP: 17.48
• TPSA: 453.36 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 40
• Rotatable Bonds: 28
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2059.47
LogP ≤ 5	17.48
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	40

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)-[5-[3-chloro-5-(3-methylpyrazin-2-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-5-(4-methylpyrimidin-2-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-5-(5-methylpyrimidin-4-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-methyl-5-(2-methylpyrimidin-4-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine?

The IUPAC name of N-[(E)-[5-[3-chloro-5-(3-methylpyrazin-2-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-5-(4-methylpyrimidin-2-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-5-(5-methylpyrimidin-4-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-methyl-5-(2-methylpyrimidin-4-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine (CID 172984748) is N-[(E)-[5-[3-chloro-5-(3-methylpyrazin-2-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-5-(4-methylpyrimidin-2-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-5-(5-methylpyrimidin-4-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-methyl-5-(2-methylpyrimidin-4-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine.

What is the SMILES notation for N-[(E)-[5-[3-chloro-5-(3-methylpyrazin-2-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-5-(4-methylpyrimidin-2-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-5-(5-methylpyrimidin-4-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-methyl-5-(2-methylpyrimidin-4-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine?

The canonical SMILES for N-[(E)-[5-[3-chloro-5-(3-methylpyrazin-2-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-5-(4-methylpyrimidin-2-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-5-(5-methylpyrimidin-4-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-methyl-5-(2-methylpyrimidin-4-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine is Cc1cc(Nc2ccc(/C=N/Nc3ncc(F)c(N4CCOCC4)n3)nc2)cc(-c2ccnc(C)n2)c1.Cc1ccnc(-c2cc(Cl)cc(Nc3ccc(/C=N/Nc4ncc(F)c(N5CCOCC5)n4)nc3)c2)n1.Cc1cncnc1-c1cc(Cl)cc(Nc2ccc(/C=N/Nc3ncc(F)c(N4CCOCC4)n3)nc2)c1.Cc1nccnc1-c1cc(Cl)cc(Nc2ccc(/C=N/Nc3ncc(F)c(N4CCOCC4)n3)nc2)c1.

What is the InChIKey of N-[(E)-[5-[3-chloro-5-(3-methylpyrazin-2-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-5-(4-methylpyrimidin-2-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-5-(5-methylpyrimidin-4-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-methyl-5-(2-methylpyrimidin-4-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine?

The InChIKey is ULUOFNRAZJPTHV-OLOTXYCFSA-N. The full InChI is InChI=1S/C26H26FN9O.3C25H23ClFN9O/c1-17-11-19(24-5-6-28-18(2)32-24)13-22(12-17)33-21-4-3-20(29-14-21)15-31-35-26-30-16-23(27)25(34-26)36-7-9-37-10-8-36;1-16-11-28-15-31-23(16)17-8-18(26)10-21(9-17)33-20-3-2-19(29-12-20)13-32-35-25-30-14-22(27)24(34-25)36-4-6-37-7-5-36;1-16-23(29-5-4-28-16)17-10-18(26)12-21(11-17)33-20-3-2-19(30-13-20)14-32-35-25-31-15-22(27)24(34-25)36-6-8-37-9-7-36;1-16-4-5-28-23(32-16)17-10-18(26)12-21(11-17)33-20-3-2-19(29-13-20)14-31-35-25-30-15-22(27)24(34-25)36-6-8-37-9-7-36/h3-6,11-16,33H,7-10H2,1-2H3,(H,30,34,35);2-3,8-15,33H,4-7H2,1H3,(H,30,34,35);2-5,10-15,33H,6-9H2,1H3,(H,31,34,35);2-5,10-15,33H,6-9H2,1H3,(H,30,34,35)/b31-15+;32-13+;32-14+;31-14+.

What are the key properties of N-[(E)-[5-[3-chloro-5-(3-methylpyrazin-2-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-5-(4-methylpyrimidin-2-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-5-(5-methylpyrimidin-4-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-methyl-5-(2-methylpyrimidin-4-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine?

N-[(E)-[5-[3-chloro-5-(3-methylpyrazin-2-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-5-(4-methylpyrimidin-2-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-5-(5-methylpyrimidin-4-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-methyl-5-(2-methylpyrimidin-4-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine has a molecular weight of 2059.47 g/mol, XLogP of 17.48, 28 rotatable bonds, 8 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(E)-[5-[3-chloro-5-(3-methylpyrazin-2-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-5-(4-methylpyrimidin-2-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-5-(5-methylpyrimidin-4-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-methyl-5-(2-methylpyrimidin-4-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine is sourced from PubChem (CID 172984748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).