2-[2-[[4-[5-amino-4-[3-[(dimethylamino)methyl]azetidin-1-yl]-2-methoxyanilino]-1,3,5-triazin-2-yl]amino]-4-chloro-5-fluorophenyl]propan-2-ol;1-(azetidin-3-yl)-N,N-dimethylmethanamine;2-[4-chloro-2-[[4-[4-[3-[(dimethylamino)methyl]azetidin-1-yl]-2-methoxy-5-nitroanilino]-1,3,5-triazin-2-yl]amino]-5-fluorophenyl]propan-2-ol;2-[4-chloro-5-fluoro-2-[[4-(4-fluoro-2-methoxy-5-nitroanilino)-1,3,5-triazin-2-yl]amino]phenyl]propan-2-ol;N-[5-[[4-[5-chloro-4-fluoro-2-(2-hydroxypropan-2-yl)anilino]-1,3,5-triazin-2-yl]amino]-2-[3-[(dimethylamino)methyl]azetidin-1-yl]-4-methoxyphenyl]prop-2-enamide;methanol;prop-2-enoyl chloride

C107H134Cl5F5N32O15 — CID 157114268

About 2-[2-[[4-[5-amino-4-[3-[(dimethylamino)methyl]azetidin-1-yl]-2-methoxyanilino]-1,3,5-triazin-2-yl]amino]-4-chloro-5-fluorophenyl]propan-2-ol;1-(azetidin-3-yl)-N,N-dimethylmethanamine;2-[4-chloro-2-[[4-[4-[3-[(dimethylamino)methyl]azetidin-1-yl]-2-methoxy-5-nitroanilino]-1,3,5-triazin-2-yl]amino]-5-fluorophenyl]propan-2-ol;2-[4-chloro-5-fluoro-2-[[4-(4-fluoro-2-methoxy-5-nitroanilino)-1,3,5-triazin-2-yl]amino]phenyl]propan-2-ol;N-[5-[[4-[5-chloro-4-fluoro-2-(2-hydroxypropan-2-yl)anilino]-1,3,5-triazin-2-yl]amino]-2-[3-[(dimethylamino)methyl]azetidin-1-yl]-4-methoxyphenyl]prop-2-enamide;methanol;prop-2-enoyl chloride

2-[2-[[4-[5-amino-4-[3-[(dimethylamino)methyl]azetidin-1-yl]-2-methoxyanilino]-1,3,5-triazin-2-yl]amino]-4-chloro-5-fluorophenyl]propan-2-ol;1-(azetidin-3-yl)-N,N-dimethylmethanamine;2-[4-chloro-2-[[4-[4-[3-[(dimethylamino)methyl]azetidin-1-yl]-2-methoxy-5-nitroanilino]-1,3,5-triazin-2-yl]amino]-5-fluorophenyl]propan-2-ol;2-[4-chloro-5-fluoro-2-[[4-(4-fluoro-2-methoxy-5-nitroanilino)-1,3,5-triazin-2-yl]amino]phenyl]propan-2-ol;N-[5-[[4-[5-chloro-4-fluoro-2-(2-hydroxypropan-2-yl)anilino]-1,3,5-triazin-2-yl]amino]-2-[3-[(dimethylamino)methyl]azetidin-1-yl]-4-methoxyphenyl]prop-2-enamide;methanol;prop-2-enoyl chloride (PubChem CID 157114268) has the molecular formula C107H134Cl5F5N32O15 and a molecular weight of 2380.71 g/mol. Its IUPAC name is 2-[2-[[4-[5-amino-4-[3-[(dimethylamino)methyl]azetidin-1-yl]-2-methoxyanilino]-1,3,5-triazin-2-yl]amino]-4-chloro-5-fluorophenyl]propan-2-ol;1-(azetidin-3-yl)-N,N-dimethylmethanamine;2-[4-chloro-2-[[4-[4-[3-[(dimethylamino)methyl]azetidin-1-yl]-2-methoxy-5-nitroanilino]-1,3,5-triazin-2-yl]amino]-5-fluorophenyl]propan-2-ol;2-[4-chloro-5-fluoro-2-[[4-(4-fluoro-2-methoxy-5-nitroanilino)-1,3,5-triazin-2-yl]amino]phenyl]propan-2-ol;N-[5-[[4-[5-chloro-4-fluoro-2-(2-hydroxypropan-2-yl)anilino]-1,3,5-triazin-2-yl]amino]-2-[3-[(dimethylamino)methyl]azetidin-1-yl]-4-methoxyphenyl]prop-2-enamide;methanol;prop-2-enoyl chloride.

Molecular Properties

• Compound Name: 2-[2-[[4-[5-amino-4-[3-[(dimethylamino)methyl]azetidin-1-yl]-2-methoxyanilino]-1,3,5-triazin-2-yl]amino]-4-chloro-5-fluorophenyl]propan-2-ol;1-(azetidin-3-yl)-N,N-dimethylmethanamine;2-[4-chloro-2-[[4-[4-[3-[(dimethylamino)methyl]azetidin-1-yl]-2-methoxy-5-nitroanilino]-1,3,5-triazin-2-yl]amino]-5-fluorophenyl]propan-2-ol;2-[4-chloro-5-fluoro-2-[[4-(4-fluoro-2-methoxy-5-nitroanilino)-1,3,5-triazin-2-yl]amino]phenyl]propan-2-ol;N-[5-[[4-[5-chloro-4-fluoro-2-(2-hydroxypropan-2-yl)anilino]-1,3,5-triazin-2-yl]amino]-2-[3-[(dimethylamino)methyl]azetidin-1-yl]-4-methoxyphenyl]prop-2-enamide;methanol;prop-2-enoyl chloride
• PubChem CID: 157114268
• Molecular Formula: C107H134Cl5F5N32O15
• Molecular Weight: 2380.71 g/mol
• Exact Mass: 2376.91
• IUPAC Name: 2-[2-[[4-[5-amino-4-[3-[(dimethylamino)methyl]azetidin-1-yl]-2-methoxyanilino]-1,3,5-triazin-2-yl]amino]-4-chloro-5-fluorophenyl]propan-2-ol;1-(azetidin-3-yl)-N,N-dimethylmethanamine;2-[4-chloro-2-[[4-[4-[3-[(dimethylamino)methyl]azetidin-1-yl]-2-methoxy-5-nitroanilino]-1,3,5-triazin-2-yl]amino]-5-fluorophenyl]propan-2-ol;2-[4-chloro-5-fluoro-2-[[4-(4-fluoro-2-methoxy-5-nitroanilino)-1,3,5-triazin-2-yl]amino]phenyl]propan-2-ol;N-[5-[[4-[5-chloro-4-fluoro-2-(2-hydroxypropan-2-yl)anilino]-1,3,5-triazin-2-yl]amino]-2-[3-[(dimethylamino)methyl]azetidin-1-yl]-4-methoxyphenyl]prop-2-enamide;methanol;prop-2-enoyl chloride
• SMILES: C=CC(=O)Cl.C=CC(=O)Nc1cc(Nc2ncnc(Nc3cc(Cl)c(F)cc3C(C)(C)O)n2)c(OC)cc1N1CC(CN(C)C)C1.CN(C)CC1CNC1.CO.COc1cc(F)c([N+](=O)[O-])cc1Nc1ncnc(Nc2cc(Cl)c(F)cc2C(C)(C)O)n1.COc1cc(N2CC(CN(C)C)C2)c(N)cc1Nc1ncnc(Nc2cc(Cl)c(F)cc2C(C)(C)O)n1.COc1cc(N2CC(CN(C)C)C2)c([N+](=O)[O-])cc1Nc1ncnc(Nc2cc(Cl)c(F)cc2C(C)(C)O)n1
• InChI: InChI=1S/C28H34ClFN8O3.C25H30ClFN8O4.C25H32ClFN8O2.C19H17ClF2N6O4.C6H14N2.C3H3ClO.CH4O/c1-7-25(39)33-21-10-22(24(41-6)11-23(21)38-13-16(14-38)12-37(4)5)35-27-32-15-31-26(36-27)34-20-9-18(29)19(30)8-17(20)28(2,3)40;1-25(2,36)15-6-17(27)16(26)7-18(15)30-23-28-13-29-24(32-23)31-19-8-21(35(37)38)20(9-22(19)39-5)34-11-14(12-34)10-33(3)4;1-25(2,36)15-6-17(27)16(26)7-19(15)31-23-29-13-30-24(33-23)32-20-8-18(28)21(9-22(20)37-5)35-11-14(12-35)10-34(3)4;1-19(2,29)9-4-11(21)10(20)5-13(9)25-17-23-8-24-18(27-17)26-14-7-15(28(30)31)12(22)6-16(14)32-3;1-8(2)5-6-3-7-4-6;1-2-3(4)5;1-2/h7-11,15-16,40H,1,12-14H2,2-6H3,(H,33,39)(H2,31,32,34,35,36);6-9,13-14,36H,10-12H2,1-5H3,(H2,28,29,30,31,32);6-9,13-14,36H,10-12,28H2,1-5H3,(H2,29,30,31,32,33);4-8,29H,1-3H3,(H2,23,24,25,26,27);6-7H,3-5H2,1-2H3;2H,1H2;2H,1H3
• InChIKey: AHFBMULIJOMGSF-UHFFFAOYSA-N
• XLogP: 17.52
• TPSA: 582.17 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 44
• Rotatable Bonds: 40
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2380.71
LogP ≤ 5	17.52
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	44

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[4-[5-amino-4-[3-[(dimethylamino)methyl]azetidin-1-yl]-2-methoxyanilino]-1,3,5-triazin-2-yl]amino]-4-chloro-5-fluorophenyl]propan-2-ol;1-(azetidin-3-yl)-N,N-dimethylmethanamine;2-[4-chloro-2-[[4-[4-[3-[(dimethylamino)methyl]azetidin-1-yl]-2-methoxy-5-nitroanilino]-1,3,5-triazin-2-yl]amino]-5-fluorophenyl]propan-2-ol;2-[4-chloro-5-fluoro-2-[[4-(4-fluoro-2-methoxy-5-nitroanilino)-1,3,5-triazin-2-yl]amino]phenyl]propan-2-ol;N-[5-[[4-[5-chloro-4-fluoro-2-(2-hydroxypropan-2-yl)anilino]-1,3,5-triazin-2-yl]amino]-2-[3-[(dimethylamino)methyl]azetidin-1-yl]-4-methoxyphenyl]prop-2-enamide;methanol;prop-2-enoyl chloride?

The IUPAC name of 2-[2-[[4-[5-amino-4-[3-[(dimethylamino)methyl]azetidin-1-yl]-2-methoxyanilino]-1,3,5-triazin-2-yl]amino]-4-chloro-5-fluorophenyl]propan-2-ol;1-(azetidin-3-yl)-N,N-dimethylmethanamine;2-[4-chloro-2-[[4-[4-[3-[(dimethylamino)methyl]azetidin-1-yl]-2-methoxy-5-nitroanilino]-1,3,5-triazin-2-yl]amino]-5-fluorophenyl]propan-2-ol;2-[4-chloro-5-fluoro-2-[[4-(4-fluoro-2-methoxy-5-nitroanilino)-1,3,5-triazin-2-yl]amino]phenyl]propan-2-ol;N-[5-[[4-[5-chloro-4-fluoro-2-(2-hydroxypropan-2-yl)anilino]-1,3,5-triazin-2-yl]amino]-2-[3-[(dimethylamino)methyl]azetidin-1-yl]-4-methoxyphenyl]prop-2-enamide;methanol;prop-2-enoyl chloride (CID 157114268) is 2-[2-[[4-[5-amino-4-[3-[(dimethylamino)methyl]azetidin-1-yl]-2-methoxyanilino]-1,3,5-triazin-2-yl]amino]-4-chloro-5-fluorophenyl]propan-2-ol;1-(azetidin-3-yl)-N,N-dimethylmethanamine;2-[4-chloro-2-[[4-[4-[3-[(dimethylamino)methyl]azetidin-1-yl]-2-methoxy-5-nitroanilino]-1,3,5-triazin-2-yl]amino]-5-fluorophenyl]propan-2-ol;2-[4-chloro-5-fluoro-2-[[4-(4-fluoro-2-methoxy-5-nitroanilino)-1,3,5-triazin-2-yl]amino]phenyl]propan-2-ol;N-[5-[[4-[5-chloro-4-fluoro-2-(2-hydroxypropan-2-yl)anilino]-1,3,5-triazin-2-yl]amino]-2-[3-[(dimethylamino)methyl]azetidin-1-yl]-4-methoxyphenyl]prop-2-enamide;methanol;prop-2-enoyl chloride.

What is the SMILES notation for 2-[2-[[4-[5-amino-4-[3-[(dimethylamino)methyl]azetidin-1-yl]-2-methoxyanilino]-1,3,5-triazin-2-yl]amino]-4-chloro-5-fluorophenyl]propan-2-ol;1-(azetidin-3-yl)-N,N-dimethylmethanamine;2-[4-chloro-2-[[4-[4-[3-[(dimethylamino)methyl]azetidin-1-yl]-2-methoxy-5-nitroanilino]-1,3,5-triazin-2-yl]amino]-5-fluorophenyl]propan-2-ol;2-[4-chloro-5-fluoro-2-[[4-(4-fluoro-2-methoxy-5-nitroanilino)-1,3,5-triazin-2-yl]amino]phenyl]propan-2-ol;N-[5-[[4-[5-chloro-4-fluoro-2-(2-hydroxypropan-2-yl)anilino]-1,3,5-triazin-2-yl]amino]-2-[3-[(dimethylamino)methyl]azetidin-1-yl]-4-methoxyphenyl]prop-2-enamide;methanol;prop-2-enoyl chloride?

The canonical SMILES for 2-[2-[[4-[5-amino-4-[3-[(dimethylamino)methyl]azetidin-1-yl]-2-methoxyanilino]-1,3,5-triazin-2-yl]amino]-4-chloro-5-fluorophenyl]propan-2-ol;1-(azetidin-3-yl)-N,N-dimethylmethanamine;2-[4-chloro-2-[[4-[4-[3-[(dimethylamino)methyl]azetidin-1-yl]-2-methoxy-5-nitroanilino]-1,3,5-triazin-2-yl]amino]-5-fluorophenyl]propan-2-ol;2-[4-chloro-5-fluoro-2-[[4-(4-fluoro-2-methoxy-5-nitroanilino)-1,3,5-triazin-2-yl]amino]phenyl]propan-2-ol;N-[5-[[4-[5-chloro-4-fluoro-2-(2-hydroxypropan-2-yl)anilino]-1,3,5-triazin-2-yl]amino]-2-[3-[(dimethylamino)methyl]azetidin-1-yl]-4-methoxyphenyl]prop-2-enamide;methanol;prop-2-enoyl chloride is C=CC(=O)Cl.C=CC(=O)Nc1cc(Nc2ncnc(Nc3cc(Cl)c(F)cc3C(C)(C)O)n2)c(OC)cc1N1CC(CN(C)C)C1.CN(C)CC1CNC1.CO.COc1cc(F)c([N+](=O)[O-])cc1Nc1ncnc(Nc2cc(Cl)c(F)cc2C(C)(C)O)n1.COc1cc(N2CC(CN(C)C)C2)c(N)cc1Nc1ncnc(Nc2cc(Cl)c(F)cc2C(C)(C)O)n1.COc1cc(N2CC(CN(C)C)C2)c([N+](=O)[O-])cc1Nc1ncnc(Nc2cc(Cl)c(F)cc2C(C)(C)O)n1.

What is the InChIKey of 2-[2-[[4-[5-amino-4-[3-[(dimethylamino)methyl]azetidin-1-yl]-2-methoxyanilino]-1,3,5-triazin-2-yl]amino]-4-chloro-5-fluorophenyl]propan-2-ol;1-(azetidin-3-yl)-N,N-dimethylmethanamine;2-[4-chloro-2-[[4-[4-[3-[(dimethylamino)methyl]azetidin-1-yl]-2-methoxy-5-nitroanilino]-1,3,5-triazin-2-yl]amino]-5-fluorophenyl]propan-2-ol;2-[4-chloro-5-fluoro-2-[[4-(4-fluoro-2-methoxy-5-nitroanilino)-1,3,5-triazin-2-yl]amino]phenyl]propan-2-ol;N-[5-[[4-[5-chloro-4-fluoro-2-(2-hydroxypropan-2-yl)anilino]-1,3,5-triazin-2-yl]amino]-2-[3-[(dimethylamino)methyl]azetidin-1-yl]-4-methoxyphenyl]prop-2-enamide;methanol;prop-2-enoyl chloride?

The InChIKey is AHFBMULIJOMGSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34ClFN8O3.C25H30ClFN8O4.C25H32ClFN8O2.C19H17ClF2N6O4.C6H14N2.C3H3ClO.CH4O/c1-7-25(39)33-21-10-22(24(41-6)11-23(21)38-13-16(14-38)12-37(4)5)35-27-32-15-31-26(36-27)34-20-9-18(29)19(30)8-17(20)28(2,3)40;1-25(2,36)15-6-17(27)16(26)7-18(15)30-23-28-13-29-24(32-23)31-19-8-21(35(37)38)20(9-22(19)39-5)34-11-14(12-34)10-33(3)4;1-25(2,36)15-6-17(27)16(26)7-19(15)31-23-29-13-30-24(33-23)32-20-8-18(28)21(9-22(20)37-5)35-11-14(12-35)10-34(3)4;1-19(2,29)9-4-11(21)10(20)5-13(9)25-17-23-8-24-18(27-17)26-14-7-15(28(30)31)12(22)6-16(14)32-3;1-8(2)5-6-3-7-4-6;1-2-3(4)5;1-2/h7-11,15-16,40H,1,12-14H2,2-6H3,(H,33,39)(H2,31,32,34,35,36);6-9,13-14,36H,10-12H2,1-5H3,(H2,28,29,30,31,32);6-9,13-14,36H,10-12,28H2,1-5H3,(H2,29,30,31,32,33);4-8,29H,1-3H3,(H2,23,24,25,26,27);6-7H,3-5H2,1-2H3;2H,1H2;2H,1H3.

What are the key properties of 2-[2-[[4-[5-amino-4-[3-[(dimethylamino)methyl]azetidin-1-yl]-2-methoxyanilino]-1,3,5-triazin-2-yl]amino]-4-chloro-5-fluorophenyl]propan-2-ol;1-(azetidin-3-yl)-N,N-dimethylmethanamine;2-[4-chloro-2-[[4-[4-[3-[(dimethylamino)methyl]azetidin-1-yl]-2-methoxy-5-nitroanilino]-1,3,5-triazin-2-yl]amino]-5-fluorophenyl]propan-2-ol;2-[4-chloro-5-fluoro-2-[[4-(4-fluoro-2-methoxy-5-nitroanilino)-1,3,5-triazin-2-yl]amino]phenyl]propan-2-ol;N-[5-[[4-[5-chloro-4-fluoro-2-(2-hydroxypropan-2-yl)anilino]-1,3,5-triazin-2-yl]amino]-2-[3-[(dimethylamino)methyl]azetidin-1-yl]-4-methoxyphenyl]prop-2-enamide;methanol;prop-2-enoyl chloride?

2-[2-[[4-[5-amino-4-[3-[(dimethylamino)methyl]azetidin-1-yl]-2-methoxyanilino]-1,3,5-triazin-2-yl]amino]-4-chloro-5-fluorophenyl]propan-2-ol;1-(azetidin-3-yl)-N,N-dimethylmethanamine;2-[4-chloro-2-[[4-[4-[3-[(dimethylamino)methyl]azetidin-1-yl]-2-methoxy-5-nitroanilino]-1,3,5-triazin-2-yl]amino]-5-fluorophenyl]propan-2-ol;2-[4-chloro-5-fluoro-2-[[4-(4-fluoro-2-methoxy-5-nitroanilino)-1,3,5-triazin-2-yl]amino]phenyl]propan-2-ol;N-[5-[[4-[5-chloro-4-fluoro-2-(2-hydroxypropan-2-yl)anilino]-1,3,5-triazin-2-yl]amino]-2-[3-[(dimethylamino)methyl]azetidin-1-yl]-4-methoxyphenyl]prop-2-enamide;methanol;prop-2-enoyl chloride has a molecular weight of 2380.71 g/mol, XLogP of 17.52, 40 rotatable bonds, 16 hydrogen bond donors, and 44 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[[4-[5-amino-4-[3-[(dimethylamino)methyl]azetidin-1-yl]-2-methoxyanilino]-1,3,5-triazin-2-yl]amino]-4-chloro-5-fluorophenyl]propan-2-ol;1-(azetidin-3-yl)-N,N-dimethylmethanamine;2-[4-chloro-2-[[4-[4-[3-[(dimethylamino)methyl]azetidin-1-yl]-2-methoxy-5-nitroanilino]-1,3,5-triazin-2-yl]amino]-5-fluorophenyl]propan-2-ol;2-[4-chloro-5-fluoro-2-[[4-(4-fluoro-2-methoxy-5-nitroanilino)-1,3,5-triazin-2-yl]amino]phenyl]propan-2-ol;N-[5-[[4-[5-chloro-4-fluoro-2-(2-hydroxypropan-2-yl)anilino]-1,3,5-triazin-2-yl]amino]-2-[3-[(dimethylamino)methyl]azetidin-1-yl]-4-methoxyphenyl]prop-2-enamide;methanol;prop-2-enoyl chloride is sourced from PubChem (CID 157114268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).