2-[2-[[4-[5-amino-2-methoxy-4-[methyl(2-piperidin-1-ylethyl)amino]anilino]-1,3,5-triazin-2-yl]amino]-4,5-difluorophenyl]propan-2-ol;1-(2-chloroethyl)piperidine;2-[4,5-difluoro-2-[[4-(4-fluoro-2-methoxy-5-nitroanilino)-1,3,5-triazin-2-yl]amino]phenyl]propan-2-ol;N-[5-[[4-[4,5-difluoro-2-(2-hydroxypropan-2-yl)anilino]-1,3,5-triazin-2-yl]amino]-4-methoxy-2-[methyl(2-piperidin-1-ylethyl)amino]phenyl]prop-2-enamide;2-[4,5-difluoro-2-[[4-[2-methoxy-4-[methyl(2-piperidin-1-ylethyl)amino]-5-nitroanilino]-1,3,5-triazin-2-yl]amino]phenyl]propan-2-ol;methanamine;methane;methanol;N-methyl-2-piperidin-1-ylethanamine;prop-2-enoyl chloride;hydrochloride

C124H174Cl3F9N34O15 — CID 158483674

About 2-[2-[[4-[5-amino-2-methoxy-4-[methyl(2-piperidin-1-ylethyl)amino]anilino]-1,3,5-triazin-2-yl]amino]-4,5-difluorophenyl]propan-2-ol;1-(2-chloroethyl)piperidine;2-[4,5-difluoro-2-[[4-(4-fluoro-2-methoxy-5-nitroanilino)-1,3,5-triazin-2-yl]amino]phenyl]propan-2-ol;N-[5-[[4-[4,5-difluoro-2-(2-hydroxypropan-2-yl)anilino]-1,3,5-triazin-2-yl]amino]-4-methoxy-2-[methyl(2-piperidin-1-ylethyl)amino]phenyl]prop-2-enamide;2-[4,5-difluoro-2-[[4-[2-methoxy-4-[methyl(2-piperidin-1-ylethyl)amino]-5-nitroanilino]-1,3,5-triazin-2-yl]amino]phenyl]propan-2-ol;methanamine;methane;methanol;N-methyl-2-piperidin-1-ylethanamine;prop-2-enoyl chloride;hydrochloride

2-[2-[[4-[5-amino-2-methoxy-4-[methyl(2-piperidin-1-ylethyl)amino]anilino]-1,3,5-triazin-2-yl]amino]-4,5-difluorophenyl]propan-2-ol;1-(2-chloroethyl)piperidine;2-[4,5-difluoro-2-[[4-(4-fluoro-2-methoxy-5-nitroanilino)-1,3,5-triazin-2-yl]amino]phenyl]propan-2-ol;N-[5-[[4-[4,5-difluoro-2-(2-hydroxypropan-2-yl)anilino]-1,3,5-triazin-2-yl]amino]-4-methoxy-2-[methyl(2-piperidin-1-ylethyl)amino]phenyl]prop-2-enamide;2-[4,5-difluoro-2-[[4-[2-methoxy-4-[methyl(2-piperidin-1-ylethyl)amino]-5-nitroanilino]-1,3,5-triazin-2-yl]amino]phenyl]propan-2-ol;methanamine;methane;methanol;N-methyl-2-piperidin-1-ylethanamine;prop-2-enoyl chloride;hydrochloride (PubChem CID 158483674) has the molecular formula C124H174Cl3F9N34O15 and a molecular weight of 2658.32 g/mol. Its IUPAC name is 2-[2-[[4-[5-amino-2-methoxy-4-[methyl(2-piperidin-1-ylethyl)amino]anilino]-1,3,5-triazin-2-yl]amino]-4,5-difluorophenyl]propan-2-ol;1-(2-chloroethyl)piperidine;2-[4,5-difluoro-2-[[4-(4-fluoro-2-methoxy-5-nitroanilino)-1,3,5-triazin-2-yl]amino]phenyl]propan-2-ol;N-[5-[[4-[4,5-difluoro-2-(2-hydroxypropan-2-yl)anilino]-1,3,5-triazin-2-yl]amino]-4-methoxy-2-[methyl(2-piperidin-1-ylethyl)amino]phenyl]prop-2-enamide;2-[4,5-difluoro-2-[[4-[2-methoxy-4-[methyl(2-piperidin-1-ylethyl)amino]-5-nitroanilino]-1,3,5-triazin-2-yl]amino]phenyl]propan-2-ol;methanamine;methane;methanol;N-methyl-2-piperidin-1-ylethanamine;prop-2-enoyl chloride;hydrochloride.

Molecular Properties

• Compound Name: 2-[2-[[4-[5-amino-2-methoxy-4-[methyl(2-piperidin-1-ylethyl)amino]anilino]-1,3,5-triazin-2-yl]amino]-4,5-difluorophenyl]propan-2-ol;1-(2-chloroethyl)piperidine;2-[4,5-difluoro-2-[[4-(4-fluoro-2-methoxy-5-nitroanilino)-1,3,5-triazin-2-yl]amino]phenyl]propan-2-ol;N-[5-[[4-[4,5-difluoro-2-(2-hydroxypropan-2-yl)anilino]-1,3,5-triazin-2-yl]amino]-4-methoxy-2-[methyl(2-piperidin-1-ylethyl)amino]phenyl]prop-2-enamide;2-[4,5-difluoro-2-[[4-[2-methoxy-4-[methyl(2-piperidin-1-ylethyl)amino]-5-nitroanilino]-1,3,5-triazin-2-yl]amino]phenyl]propan-2-ol;methanamine;methane;methanol;N-methyl-2-piperidin-1-ylethanamine;prop-2-enoyl chloride;hydrochloride
• PubChem CID: 158483674
• Molecular Formula: C124H174Cl3F9N34O15
• Molecular Weight: 2658.32 g/mol
• Exact Mass: 2655.28
• IUPAC Name: 2-[2-[[4-[5-amino-2-methoxy-4-[methyl(2-piperidin-1-ylethyl)amino]anilino]-1,3,5-triazin-2-yl]amino]-4,5-difluorophenyl]propan-2-ol;1-(2-chloroethyl)piperidine;2-[4,5-difluoro-2-[[4-(4-fluoro-2-methoxy-5-nitroanilino)-1,3,5-triazin-2-yl]amino]phenyl]propan-2-ol;N-[5-[[4-[4,5-difluoro-2-(2-hydroxypropan-2-yl)anilino]-1,3,5-triazin-2-yl]amino]-4-methoxy-2-[methyl(2-piperidin-1-ylethyl)amino]phenyl]prop-2-enamide;2-[4,5-difluoro-2-[[4-[2-methoxy-4-[methyl(2-piperidin-1-ylethyl)amino]-5-nitroanilino]-1,3,5-triazin-2-yl]amino]phenyl]propan-2-ol;methanamine;methane;methanol;N-methyl-2-piperidin-1-ylethanamine;prop-2-enoyl chloride;hydrochloride
• SMILES: C.C=CC(=O)Cl.C=CC(=O)Nc1cc(Nc2ncnc(Nc3cc(F)c(F)cc3C(C)(C)O)n2)c(OC)cc1N(C)CCN1CCCCC1.CN.CNCCN1CCCCC1.CO.COc1cc(F)c([N+](=O)[O-])cc1Nc1ncnc(Nc2cc(F)c(F)cc2C(C)(C)O)n1.COc1cc(N(C)CCN2CCCCC2)c(N)cc1Nc1ncnc(Nc2cc(F)c(F)cc2C(C)(C)O)n1.COc1cc(N(C)CCN2CCCCC2)c([N+](=O)[O-])cc1Nc1ncnc(Nc2cc(F)c(F)cc2C(C)(C)O)n1.Cl.ClCCN1CCCCC1
• InChI: InChI=1S/C30H38F2N8O3.C27H34F2N8O4.C27H36F2N8O2.C19H17F3N6O4.C8H18N2.C7H14ClN.C3H3ClO.CH5N.CH4O.CH4.ClH/c1-6-27(41)35-23-16-24(26(43-5)17-25(23)39(4)12-13-40-10-8-7-9-11-40)37-29-34-18-33-28(38-29)36-22-15-21(32)20(31)14-19(22)30(2,3)42;1-27(2,38)17-12-18(28)19(29)13-20(17)32-25-30-16-31-26(34-25)33-21-14-23(37(39)40)22(15-24(21)41-4)35(3)10-11-36-8-6-5-7-9-36;1-27(2,38)17-12-18(28)19(29)13-21(17)33-25-31-16-32-26(35-25)34-22-14-20(30)23(15-24(22)39-4)36(3)10-11-37-8-6-5-7-9-37;1-19(2,29)9-4-10(20)11(21)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;1-9-5-8-10-6-3-2-4-7-10;8-4-7-9-5-2-1-3-6-9;1-2-3(4)5;2*1-2;;/h6,14-18,42H,1,7-13H2,2-5H3,(H,35,41)(H2,33,34,36,37,38);12-16,38H,5-11H2,1-4H3,(H2,30,31,32,33,34);12-16,38H,5-11,30H2,1-4H3,(H2,31,32,33,34,35);4-8,29H,1-3H3,(H2,23,24,25,26,27);9H,2-8H2,1H3;1-7H2;2H,1H2;2H2,1H3;2H,1H3;1H4;1H
• InChIKey: GSDZONWAFNOTKQ-UHFFFAOYSA-N
• XLogP: 21.50
• TPSA: 611.43 Ų
• H-Bond Donors: 17
• H-Bond Acceptors: 46
• Rotatable Bonds: 46
• Heavy Atoms: 185
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2658.32
LogP ≤ 5	21.50
H-Bond Donors ≤ 5	17
H-Bond Acceptors ≤ 10	46

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'alkyl_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'}

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[4-[5-amino-2-methoxy-4-[methyl(2-piperidin-1-ylethyl)amino]anilino]-1,3,5-triazin-2-yl]amino]-4,5-difluorophenyl]propan-2-ol;1-(2-chloroethyl)piperidine;2-[4,5-difluoro-2-[[4-(4-fluoro-2-methoxy-5-nitroanilino)-1,3,5-triazin-2-yl]amino]phenyl]propan-2-ol;N-[5-[[4-[4,5-difluoro-2-(2-hydroxypropan-2-yl)anilino]-1,3,5-triazin-2-yl]amino]-4-methoxy-2-[methyl(2-piperidin-1-ylethyl)amino]phenyl]prop-2-enamide;2-[4,5-difluoro-2-[[4-[2-methoxy-4-[methyl(2-piperidin-1-ylethyl)amino]-5-nitroanilino]-1,3,5-triazin-2-yl]amino]phenyl]propan-2-ol;methanamine;methane;methanol;N-methyl-2-piperidin-1-ylethanamine;prop-2-enoyl chloride;hydrochloride?

The IUPAC name of 2-[2-[[4-[5-amino-2-methoxy-4-[methyl(2-piperidin-1-ylethyl)amino]anilino]-1,3,5-triazin-2-yl]amino]-4,5-difluorophenyl]propan-2-ol;1-(2-chloroethyl)piperidine;2-[4,5-difluoro-2-[[4-(4-fluoro-2-methoxy-5-nitroanilino)-1,3,5-triazin-2-yl]amino]phenyl]propan-2-ol;N-[5-[[4-[4,5-difluoro-2-(2-hydroxypropan-2-yl)anilino]-1,3,5-triazin-2-yl]amino]-4-methoxy-2-[methyl(2-piperidin-1-ylethyl)amino]phenyl]prop-2-enamide;2-[4,5-difluoro-2-[[4-[2-methoxy-4-[methyl(2-piperidin-1-ylethyl)amino]-5-nitroanilino]-1,3,5-triazin-2-yl]amino]phenyl]propan-2-ol;methanamine;methane;methanol;N-methyl-2-piperidin-1-ylethanamine;prop-2-enoyl chloride;hydrochloride (CID 158483674) is 2-[2-[[4-[5-amino-2-methoxy-4-[methyl(2-piperidin-1-ylethyl)amino]anilino]-1,3,5-triazin-2-yl]amino]-4,5-difluorophenyl]propan-2-ol;1-(2-chloroethyl)piperidine;2-[4,5-difluoro-2-[[4-(4-fluoro-2-methoxy-5-nitroanilino)-1,3,5-triazin-2-yl]amino]phenyl]propan-2-ol;N-[5-[[4-[4,5-difluoro-2-(2-hydroxypropan-2-yl)anilino]-1,3,5-triazin-2-yl]amino]-4-methoxy-2-[methyl(2-piperidin-1-ylethyl)amino]phenyl]prop-2-enamide;2-[4,5-difluoro-2-[[4-[2-methoxy-4-[methyl(2-piperidin-1-ylethyl)amino]-5-nitroanilino]-1,3,5-triazin-2-yl]amino]phenyl]propan-2-ol;methanamine;methane;methanol;N-methyl-2-piperidin-1-ylethanamine;prop-2-enoyl chloride;hydrochloride.

What is the SMILES notation for 2-[2-[[4-[5-amino-2-methoxy-4-[methyl(2-piperidin-1-ylethyl)amino]anilino]-1,3,5-triazin-2-yl]amino]-4,5-difluorophenyl]propan-2-ol;1-(2-chloroethyl)piperidine;2-[4,5-difluoro-2-[[4-(4-fluoro-2-methoxy-5-nitroanilino)-1,3,5-triazin-2-yl]amino]phenyl]propan-2-ol;N-[5-[[4-[4,5-difluoro-2-(2-hydroxypropan-2-yl)anilino]-1,3,5-triazin-2-yl]amino]-4-methoxy-2-[methyl(2-piperidin-1-ylethyl)amino]phenyl]prop-2-enamide;2-[4,5-difluoro-2-[[4-[2-methoxy-4-[methyl(2-piperidin-1-ylethyl)amino]-5-nitroanilino]-1,3,5-triazin-2-yl]amino]phenyl]propan-2-ol;methanamine;methane;methanol;N-methyl-2-piperidin-1-ylethanamine;prop-2-enoyl chloride;hydrochloride?

The canonical SMILES for 2-[2-[[4-[5-amino-2-methoxy-4-[methyl(2-piperidin-1-ylethyl)amino]anilino]-1,3,5-triazin-2-yl]amino]-4,5-difluorophenyl]propan-2-ol;1-(2-chloroethyl)piperidine;2-[4,5-difluoro-2-[[4-(4-fluoro-2-methoxy-5-nitroanilino)-1,3,5-triazin-2-yl]amino]phenyl]propan-2-ol;N-[5-[[4-[4,5-difluoro-2-(2-hydroxypropan-2-yl)anilino]-1,3,5-triazin-2-yl]amino]-4-methoxy-2-[methyl(2-piperidin-1-ylethyl)amino]phenyl]prop-2-enamide;2-[4,5-difluoro-2-[[4-[2-methoxy-4-[methyl(2-piperidin-1-ylethyl)amino]-5-nitroanilino]-1,3,5-triazin-2-yl]amino]phenyl]propan-2-ol;methanamine;methane;methanol;N-methyl-2-piperidin-1-ylethanamine;prop-2-enoyl chloride;hydrochloride is C.C=CC(=O)Cl.C=CC(=O)Nc1cc(Nc2ncnc(Nc3cc(F)c(F)cc3C(C)(C)O)n2)c(OC)cc1N(C)CCN1CCCCC1.CN.CNCCN1CCCCC1.CO.COc1cc(F)c([N+](=O)[O-])cc1Nc1ncnc(Nc2cc(F)c(F)cc2C(C)(C)O)n1.COc1cc(N(C)CCN2CCCCC2)c(N)cc1Nc1ncnc(Nc2cc(F)c(F)cc2C(C)(C)O)n1.COc1cc(N(C)CCN2CCCCC2)c([N+](=O)[O-])cc1Nc1ncnc(Nc2cc(F)c(F)cc2C(C)(C)O)n1.Cl.ClCCN1CCCCC1.

What is the InChIKey of 2-[2-[[4-[5-amino-2-methoxy-4-[methyl(2-piperidin-1-ylethyl)amino]anilino]-1,3,5-triazin-2-yl]amino]-4,5-difluorophenyl]propan-2-ol;1-(2-chloroethyl)piperidine;2-[4,5-difluoro-2-[[4-(4-fluoro-2-methoxy-5-nitroanilino)-1,3,5-triazin-2-yl]amino]phenyl]propan-2-ol;N-[5-[[4-[4,5-difluoro-2-(2-hydroxypropan-2-yl)anilino]-1,3,5-triazin-2-yl]amino]-4-methoxy-2-[methyl(2-piperidin-1-ylethyl)amino]phenyl]prop-2-enamide;2-[4,5-difluoro-2-[[4-[2-methoxy-4-[methyl(2-piperidin-1-ylethyl)amino]-5-nitroanilino]-1,3,5-triazin-2-yl]amino]phenyl]propan-2-ol;methanamine;methane;methanol;N-methyl-2-piperidin-1-ylethanamine;prop-2-enoyl chloride;hydrochloride?

The InChIKey is GSDZONWAFNOTKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38F2N8O3.C27H34F2N8O4.C27H36F2N8O2.C19H17F3N6O4.C8H18N2.C7H14ClN.C3H3ClO.CH5N.CH4O.CH4.ClH/c1-6-27(41)35-23-16-24(26(43-5)17-25(23)39(4)12-13-40-10-8-7-9-11-40)37-29-34-18-33-28(38-29)36-22-15-21(32)20(31)14-19(22)30(2,3)42;1-27(2,38)17-12-18(28)19(29)13-20(17)32-25-30-16-31-26(34-25)33-21-14-23(37(39)40)22(15-24(21)41-4)35(3)10-11-36-8-6-5-7-9-36;1-27(2,38)17-12-18(28)19(29)13-21(17)33-25-31-16-32-26(35-25)34-22-14-20(30)23(15-24(22)39-4)36(3)10-11-37-8-6-5-7-9-37;1-19(2,29)9-4-10(20)11(21)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;1-9-5-8-10-6-3-2-4-7-10;8-4-7-9-5-2-1-3-6-9;1-2-3(4)5;2*1-2;;/h6,14-18,42H,1,7-13H2,2-5H3,(H,35,41)(H2,33,34,36,37,38);12-16,38H,5-11H2,1-4H3,(H2,30,31,32,33,34);12-16,38H,5-11,30H2,1-4H3,(H2,31,32,33,34,35);4-8,29H,1-3H3,(H2,23,24,25,26,27);9H,2-8H2,1H3;1-7H2;2H,1H2;2H2,1H3;2H,1H3;1H4;1H.

What are the key properties of 2-[2-[[4-[5-amino-2-methoxy-4-[methyl(2-piperidin-1-ylethyl)amino]anilino]-1,3,5-triazin-2-yl]amino]-4,5-difluorophenyl]propan-2-ol;1-(2-chloroethyl)piperidine;2-[4,5-difluoro-2-[[4-(4-fluoro-2-methoxy-5-nitroanilino)-1,3,5-triazin-2-yl]amino]phenyl]propan-2-ol;N-[5-[[4-[4,5-difluoro-2-(2-hydroxypropan-2-yl)anilino]-1,3,5-triazin-2-yl]amino]-4-methoxy-2-[methyl(2-piperidin-1-ylethyl)amino]phenyl]prop-2-enamide;2-[4,5-difluoro-2-[[4-[2-methoxy-4-[methyl(2-piperidin-1-ylethyl)amino]-5-nitroanilino]-1,3,5-triazin-2-yl]amino]phenyl]propan-2-ol;methanamine;methane;methanol;N-methyl-2-piperidin-1-ylethanamine;prop-2-enoyl chloride;hydrochloride?

2-[2-[[4-[5-amino-2-methoxy-4-[methyl(2-piperidin-1-ylethyl)amino]anilino]-1,3,5-triazin-2-yl]amino]-4,5-difluorophenyl]propan-2-ol;1-(2-chloroethyl)piperidine;2-[4,5-difluoro-2-[[4-(4-fluoro-2-methoxy-5-nitroanilino)-1,3,5-triazin-2-yl]amino]phenyl]propan-2-ol;N-[5-[[4-[4,5-difluoro-2-(2-hydroxypropan-2-yl)anilino]-1,3,5-triazin-2-yl]amino]-4-methoxy-2-[methyl(2-piperidin-1-ylethyl)amino]phenyl]prop-2-enamide;2-[4,5-difluoro-2-[[4-[2-methoxy-4-[methyl(2-piperidin-1-ylethyl)amino]-5-nitroanilino]-1,3,5-triazin-2-yl]amino]phenyl]propan-2-ol;methanamine;methane;methanol;N-methyl-2-piperidin-1-ylethanamine;prop-2-enoyl chloride;hydrochloride has a molecular weight of 2658.32 g/mol, XLogP of 21.50, 46 rotatable bonds, 17 hydrogen bond donors, and 46 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[[4-[5-amino-2-methoxy-4-[methyl(2-piperidin-1-ylethyl)amino]anilino]-1,3,5-triazin-2-yl]amino]-4,5-difluorophenyl]propan-2-ol;1-(2-chloroethyl)piperidine;2-[4,5-difluoro-2-[[4-(4-fluoro-2-methoxy-5-nitroanilino)-1,3,5-triazin-2-yl]amino]phenyl]propan-2-ol;N-[5-[[4-[4,5-difluoro-2-(2-hydroxypropan-2-yl)anilino]-1,3,5-triazin-2-yl]amino]-4-methoxy-2-[methyl(2-piperidin-1-ylethyl)amino]phenyl]prop-2-enamide;2-[4,5-difluoro-2-[[4-[2-methoxy-4-[methyl(2-piperidin-1-ylethyl)amino]-5-nitroanilino]-1,3,5-triazin-2-yl]amino]phenyl]propan-2-ol;methanamine;methane;methanol;N-methyl-2-piperidin-1-ylethanamine;prop-2-enoyl chloride;hydrochloride is sourced from PubChem (CID 158483674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).