N-[[4-[(2-anilino-5-fluoropyrimidin-4-yl)amino]phenyl]methyl]-N-methylprop-2-enamide;N-[[4-(2-anilino-5-fluoropyrimidin-4-yl)oxyphenyl]methyl]-N-methylprop-2-enamide;N-[3-[[2-[3,4-bis(2-methoxyethoxy)anilino]-5-fluoropyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[[4-[[5-fluoro-2-(3-sulfamoylanilino)pyrimidin-4-yl]amino]phenyl]methyl]-N-methylprop-2-enamide;N-[[4-[5-fluoro-2-(3-sulfamoylanilino)pyrimidin-4-yl]oxyphenyl]methyl]-N-methylprop-2-enamide

C109H108F5N25O15S2 — CID 161173940

About N-[[4-[(2-anilino-5-fluoropyrimidin-4-yl)amino]phenyl]methyl]-N-methylprop-2-enamide;N-[[4-(2-anilino-5-fluoropyrimidin-4-yl)oxyphenyl]methyl]-N-methylprop-2-enamide;N-[3-[[2-[3,4-bis(2-methoxyethoxy)anilino]-5-fluoropyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[[4-[[5-fluoro-2-(3-sulfamoylanilino)pyrimidin-4-yl]amino]phenyl]methyl]-N-methylprop-2-enamide;N-[[4-[5-fluoro-2-(3-sulfamoylanilino)pyrimidin-4-yl]oxyphenyl]methyl]-N-methylprop-2-enamide

N-[[4-[(2-anilino-5-fluoropyrimidin-4-yl)amino]phenyl]methyl]-N-methylprop-2-enamide;N-[[4-(2-anilino-5-fluoropyrimidin-4-yl)oxyphenyl]methyl]-N-methylprop-2-enamide;N-[3-[[2-[3,4-bis(2-methoxyethoxy)anilino]-5-fluoropyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[[4-[[5-fluoro-2-(3-sulfamoylanilino)pyrimidin-4-yl]amino]phenyl]methyl]-N-methylprop-2-enamide;N-[[4-[5-fluoro-2-(3-sulfamoylanilino)pyrimidin-4-yl]oxyphenyl]methyl]-N-methylprop-2-enamide (PubChem CID 161173940) has the molecular formula C109H108F5N25O15S2 and a molecular weight of 2167.35 g/mol. Its IUPAC name is N-[[4-[(2-anilino-5-fluoropyrimidin-4-yl)amino]phenyl]methyl]-N-methylprop-2-enamide;N-[[4-(2-anilino-5-fluoropyrimidin-4-yl)oxyphenyl]methyl]-N-methylprop-2-enamide;N-[3-[[2-[3,4-bis(2-methoxyethoxy)anilino]-5-fluoropyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[[4-[[5-fluoro-2-(3-sulfamoylanilino)pyrimidin-4-yl]amino]phenyl]methyl]-N-methylprop-2-enamide;N-[[4-[5-fluoro-2-(3-sulfamoylanilino)pyrimidin-4-yl]oxyphenyl]methyl]-N-methylprop-2-enamide.

Molecular Properties

• Compound Name: N-[[4-[(2-anilino-5-fluoropyrimidin-4-yl)amino]phenyl]methyl]-N-methylprop-2-enamide;N-[[4-(2-anilino-5-fluoropyrimidin-4-yl)oxyphenyl]methyl]-N-methylprop-2-enamide;N-[3-[[2-[3,4-bis(2-methoxyethoxy)anilino]-5-fluoropyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[[4-[[5-fluoro-2-(3-sulfamoylanilino)pyrimidin-4-yl]amino]phenyl]methyl]-N-methylprop-2-enamide;N-[[4-[5-fluoro-2-(3-sulfamoylanilino)pyrimidin-4-yl]oxyphenyl]methyl]-N-methylprop-2-enamide
• PubChem CID: 161173940
• Molecular Formula: C109H108F5N25O15S2
• Molecular Weight: 2167.35 g/mol
• Exact Mass: 2165.78
• IUPAC Name: N-[[4-[(2-anilino-5-fluoropyrimidin-4-yl)amino]phenyl]methyl]-N-methylprop-2-enamide;N-[[4-(2-anilino-5-fluoropyrimidin-4-yl)oxyphenyl]methyl]-N-methylprop-2-enamide;N-[3-[[2-[3,4-bis(2-methoxyethoxy)anilino]-5-fluoropyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[[4-[[5-fluoro-2-(3-sulfamoylanilino)pyrimidin-4-yl]amino]phenyl]methyl]-N-methylprop-2-enamide;N-[[4-[5-fluoro-2-(3-sulfamoylanilino)pyrimidin-4-yl]oxyphenyl]methyl]-N-methylprop-2-enamide
• SMILES: C=CC(=O)N(C)Cc1ccc(Nc2nc(Nc3cccc(S(N)(=O)=O)c3)ncc2F)cc1.C=CC(=O)N(C)Cc1ccc(Nc2nc(Nc3ccccc3)ncc2F)cc1.C=CC(=O)N(C)Cc1ccc(Oc2nc(Nc3cccc(S(N)(=O)=O)c3)ncc2F)cc1.C=CC(=O)N(C)Cc1ccc(Oc2nc(Nc3ccccc3)ncc2F)cc1.C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc(OCCOC)c(OCCOC)c3)ncc2F)c1
• InChI: InChI=1S/C25H28FN5O5.C21H21FN6O3S.C21H20FN5O4S.C21H20FN5O.C21H19FN4O2/c1-4-23(32)28-17-6-5-7-18(14-17)29-24-20(26)16-27-25(31-24)30-19-8-9-21(35-12-10-33-2)22(15-19)36-13-11-34-3;1-3-19(29)28(2)13-14-7-9-15(10-8-14)25-20-18(22)12-24-21(27-20)26-16-5-4-6-17(11-16)32(23,30)31;1-3-19(28)27(2)13-14-7-9-16(10-8-14)31-20-18(22)12-24-21(26-20)25-15-5-4-6-17(11-15)32(23,29)30;1-3-19(28)27(2)14-15-9-11-17(12-10-15)24-20-18(22)13-23-21(26-20)25-16-7-5-4-6-8-16;1-3-19(27)26(2)14-15-9-11-17(12-10-15)28-20-18(22)13-23-21(25-20)24-16-7-5-4-6-8-16/h4-9,14-16H,1,10-13H2,2-3H3,(H,28,32)(H2,27,29,30,31);3-12H,1,13H2,2H3,(H2,23,30,31)(H2,24,25,26,27);3-12H,1,13H2,2H3,(H2,23,29,30)(H,24,25,26);3-13H,1,14H2,2H3,(H2,23,24,25,26);3-13H,1,14H2,2H3,(H,23,24,25)
• InChIKey: URNYTXZAVDTKOP-UHFFFAOYSA-N
• XLogP: 18.66
• TPSA: 511.18 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 33
• Rotatable Bonds: 44
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2167.35
LogP ≤ 5	18.66
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(2-anilino-5-fluoropyrimidin-4-yl)amino]phenyl]methyl]-N-methylprop-2-enamide;N-[[4-(2-anilino-5-fluoropyrimidin-4-yl)oxyphenyl]methyl]-N-methylprop-2-enamide;N-[3-[[2-[3,4-bis(2-methoxyethoxy)anilino]-5-fluoropyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[[4-[[5-fluoro-2-(3-sulfamoylanilino)pyrimidin-4-yl]amino]phenyl]methyl]-N-methylprop-2-enamide;N-[[4-[5-fluoro-2-(3-sulfamoylanilino)pyrimidin-4-yl]oxyphenyl]methyl]-N-methylprop-2-enamide?

The IUPAC name of N-[[4-[(2-anilino-5-fluoropyrimidin-4-yl)amino]phenyl]methyl]-N-methylprop-2-enamide;N-[[4-(2-anilino-5-fluoropyrimidin-4-yl)oxyphenyl]methyl]-N-methylprop-2-enamide;N-[3-[[2-[3,4-bis(2-methoxyethoxy)anilino]-5-fluoropyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[[4-[[5-fluoro-2-(3-sulfamoylanilino)pyrimidin-4-yl]amino]phenyl]methyl]-N-methylprop-2-enamide;N-[[4-[5-fluoro-2-(3-sulfamoylanilino)pyrimidin-4-yl]oxyphenyl]methyl]-N-methylprop-2-enamide (CID 161173940) is N-[[4-[(2-anilino-5-fluoropyrimidin-4-yl)amino]phenyl]methyl]-N-methylprop-2-enamide;N-[[4-(2-anilino-5-fluoropyrimidin-4-yl)oxyphenyl]methyl]-N-methylprop-2-enamide;N-[3-[[2-[3,4-bis(2-methoxyethoxy)anilino]-5-fluoropyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[[4-[[5-fluoro-2-(3-sulfamoylanilino)pyrimidin-4-yl]amino]phenyl]methyl]-N-methylprop-2-enamide;N-[[4-[5-fluoro-2-(3-sulfamoylanilino)pyrimidin-4-yl]oxyphenyl]methyl]-N-methylprop-2-enamide.

What is the SMILES notation for N-[[4-[(2-anilino-5-fluoropyrimidin-4-yl)amino]phenyl]methyl]-N-methylprop-2-enamide;N-[[4-(2-anilino-5-fluoropyrimidin-4-yl)oxyphenyl]methyl]-N-methylprop-2-enamide;N-[3-[[2-[3,4-bis(2-methoxyethoxy)anilino]-5-fluoropyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[[4-[[5-fluoro-2-(3-sulfamoylanilino)pyrimidin-4-yl]amino]phenyl]methyl]-N-methylprop-2-enamide;N-[[4-[5-fluoro-2-(3-sulfamoylanilino)pyrimidin-4-yl]oxyphenyl]methyl]-N-methylprop-2-enamide?

The canonical SMILES for N-[[4-[(2-anilino-5-fluoropyrimidin-4-yl)amino]phenyl]methyl]-N-methylprop-2-enamide;N-[[4-(2-anilino-5-fluoropyrimidin-4-yl)oxyphenyl]methyl]-N-methylprop-2-enamide;N-[3-[[2-[3,4-bis(2-methoxyethoxy)anilino]-5-fluoropyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[[4-[[5-fluoro-2-(3-sulfamoylanilino)pyrimidin-4-yl]amino]phenyl]methyl]-N-methylprop-2-enamide;N-[[4-[5-fluoro-2-(3-sulfamoylanilino)pyrimidin-4-yl]oxyphenyl]methyl]-N-methylprop-2-enamide is C=CC(=O)N(C)Cc1ccc(Nc2nc(Nc3cccc(S(N)(=O)=O)c3)ncc2F)cc1.C=CC(=O)N(C)Cc1ccc(Nc2nc(Nc3ccccc3)ncc2F)cc1.C=CC(=O)N(C)Cc1ccc(Oc2nc(Nc3cccc(S(N)(=O)=O)c3)ncc2F)cc1.C=CC(=O)N(C)Cc1ccc(Oc2nc(Nc3ccccc3)ncc2F)cc1.C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc(OCCOC)c(OCCOC)c3)ncc2F)c1.

What is the InChIKey of N-[[4-[(2-anilino-5-fluoropyrimidin-4-yl)amino]phenyl]methyl]-N-methylprop-2-enamide;N-[[4-(2-anilino-5-fluoropyrimidin-4-yl)oxyphenyl]methyl]-N-methylprop-2-enamide;N-[3-[[2-[3,4-bis(2-methoxyethoxy)anilino]-5-fluoropyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[[4-[[5-fluoro-2-(3-sulfamoylanilino)pyrimidin-4-yl]amino]phenyl]methyl]-N-methylprop-2-enamide;N-[[4-[5-fluoro-2-(3-sulfamoylanilino)pyrimidin-4-yl]oxyphenyl]methyl]-N-methylprop-2-enamide?

The InChIKey is URNYTXZAVDTKOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28FN5O5.C21H21FN6O3S.C21H20FN5O4S.C21H20FN5O.C21H19FN4O2/c1-4-23(32)28-17-6-5-7-18(14-17)29-24-20(26)16-27-25(31-24)30-19-8-9-21(35-12-10-33-2)22(15-19)36-13-11-34-3;1-3-19(29)28(2)13-14-7-9-15(10-8-14)25-20-18(22)12-24-21(27-20)26-16-5-4-6-17(11-16)32(23,30)31;1-3-19(28)27(2)13-14-7-9-16(10-8-14)31-20-18(22)12-24-21(26-20)25-15-5-4-6-17(11-15)32(23,29)30;1-3-19(28)27(2)14-15-9-11-17(12-10-15)24-20-18(22)13-23-21(26-20)25-16-7-5-4-6-8-16;1-3-19(27)26(2)14-15-9-11-17(12-10-15)28-20-18(22)13-23-21(25-20)24-16-7-5-4-6-8-16/h4-9,14-16H,1,10-13H2,2-3H3,(H,28,32)(H2,27,29,30,31);3-12H,1,13H2,2H3,(H2,23,30,31)(H2,24,25,26,27);3-12H,1,13H2,2H3,(H2,23,29,30)(H,24,25,26);3-13H,1,14H2,2H3,(H2,23,24,25,26);3-13H,1,14H2,2H3,(H,23,24,25).

What are the key properties of N-[[4-[(2-anilino-5-fluoropyrimidin-4-yl)amino]phenyl]methyl]-N-methylprop-2-enamide;N-[[4-(2-anilino-5-fluoropyrimidin-4-yl)oxyphenyl]methyl]-N-methylprop-2-enamide;N-[3-[[2-[3,4-bis(2-methoxyethoxy)anilino]-5-fluoropyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[[4-[[5-fluoro-2-(3-sulfamoylanilino)pyrimidin-4-yl]amino]phenyl]methyl]-N-methylprop-2-enamide;N-[[4-[5-fluoro-2-(3-sulfamoylanilino)pyrimidin-4-yl]oxyphenyl]methyl]-N-methylprop-2-enamide?

N-[[4-[(2-anilino-5-fluoropyrimidin-4-yl)amino]phenyl]methyl]-N-methylprop-2-enamide;N-[[4-(2-anilino-5-fluoropyrimidin-4-yl)oxyphenyl]methyl]-N-methylprop-2-enamide;N-[3-[[2-[3,4-bis(2-methoxyethoxy)anilino]-5-fluoropyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[[4-[[5-fluoro-2-(3-sulfamoylanilino)pyrimidin-4-yl]amino]phenyl]methyl]-N-methylprop-2-enamide;N-[[4-[5-fluoro-2-(3-sulfamoylanilino)pyrimidin-4-yl]oxyphenyl]methyl]-N-methylprop-2-enamide has a molecular weight of 2167.35 g/mol, XLogP of 18.66, 44 rotatable bonds, 11 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[4-[(2-anilino-5-fluoropyrimidin-4-yl)amino]phenyl]methyl]-N-methylprop-2-enamide;N-[[4-(2-anilino-5-fluoropyrimidin-4-yl)oxyphenyl]methyl]-N-methylprop-2-enamide;N-[3-[[2-[3,4-bis(2-methoxyethoxy)anilino]-5-fluoropyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[[4-[[5-fluoro-2-(3-sulfamoylanilino)pyrimidin-4-yl]amino]phenyl]methyl]-N-methylprop-2-enamide;N-[[4-[5-fluoro-2-(3-sulfamoylanilino)pyrimidin-4-yl]oxyphenyl]methyl]-N-methylprop-2-enamide is sourced from PubChem (CID 161173940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).