2-(2-amino-4-chloro-5-fluorophenyl)propan-2-ol;2-[2-[[2-[5-amino-4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2-methoxyanilino]-5-chloropyrimidin-4-yl]amino]-4-chloro-5-fluorophenyl]propan-2-ol;2-[4-chloro-2-[[5-chloro-2-[4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2-methoxy-5-nitroanilino]pyrimidin-4-yl]amino]-5-fluorophenyl]propan-2-ol;2-[4-chloro-2-[[5-chloro-2-(4-fluoro-2-methoxy-5-nitroanilino)pyrimidin-4-yl]amino]-5-fluorophenyl]propan-2-ol;2-[4-chloro-2-[(2,5-dichloropyrimidin-4-yl)amino]-5-fluorophenyl]propan-2-ol;(3R)-N,N-dimethylpyrrolidin-3-amine;4-fluoro-2-methoxy-5-nitroaniline;methanol;prop-2-enoyl chloride;2,4,5-trichloropyrimidine

C115H130Cl14F7N29O17 — CID 159620090

About 2-(2-amino-4-chloro-5-fluorophenyl)propan-2-ol;2-[2-[[2-[5-amino-4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2-methoxyanilino]-5-chloropyrimidin-4-yl]amino]-4-chloro-5-fluorophenyl]propan-2-ol;2-[4-chloro-2-[[5-chloro-2-[4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2-methoxy-5-nitroanilino]pyrimidin-4-yl]amino]-5-fluorophenyl]propan-2-ol;2-[4-chloro-2-[[5-chloro-2-(4-fluoro-2-methoxy-5-nitroanilino)pyrimidin-4-yl]amino]-5-fluorophenyl]propan-2-ol;2-[4-chloro-2-[(2,5-dichloropyrimidin-4-yl)amino]-5-fluorophenyl]propan-2-ol;(3R)-N,N-dimethylpyrrolidin-3-amine;4-fluoro-2-methoxy-5-nitroaniline;methanol;prop-2-enoyl chloride;2,4,5-trichloropyrimidine

2-(2-amino-4-chloro-5-fluorophenyl)propan-2-ol;2-[2-[[2-[5-amino-4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2-methoxyanilino]-5-chloropyrimidin-4-yl]amino]-4-chloro-5-fluorophenyl]propan-2-ol;2-[4-chloro-2-[[5-chloro-2-[4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2-methoxy-5-nitroanilino]pyrimidin-4-yl]amino]-5-fluorophenyl]propan-2-ol;2-[4-chloro-2-[[5-chloro-2-(4-fluoro-2-methoxy-5-nitroanilino)pyrimidin-4-yl]amino]-5-fluorophenyl]propan-2-ol;2-[4-chloro-2-[(2,5-dichloropyrimidin-4-yl)amino]-5-fluorophenyl]propan-2-ol;(3R)-N,N-dimethylpyrrolidin-3-amine;4-fluoro-2-methoxy-5-nitroaniline;methanol;prop-2-enoyl chloride;2,4,5-trichloropyrimidine (PubChem CID 159620090) has the molecular formula C115H130Cl14F7N29O17 and a molecular weight of 2819.82 g/mol. Its IUPAC name is 2-(2-amino-4-chloro-5-fluorophenyl)propan-2-ol;2-[2-[[2-[5-amino-4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2-methoxyanilino]-5-chloropyrimidin-4-yl]amino]-4-chloro-5-fluorophenyl]propan-2-ol;2-[4-chloro-2-[[5-chloro-2-[4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2-methoxy-5-nitroanilino]pyrimidin-4-yl]amino]-5-fluorophenyl]propan-2-ol;2-[4-chloro-2-[[5-chloro-2-(4-fluoro-2-methoxy-5-nitroanilino)pyrimidin-4-yl]amino]-5-fluorophenyl]propan-2-ol;2-[4-chloro-2-[(2,5-dichloropyrimidin-4-yl)amino]-5-fluorophenyl]propan-2-ol;(3R)-N,N-dimethylpyrrolidin-3-amine;4-fluoro-2-methoxy-5-nitroaniline;methanol;prop-2-enoyl chloride;2,4,5-trichloropyrimidine.

Molecular Properties

• Compound Name: 2-(2-amino-4-chloro-5-fluorophenyl)propan-2-ol;2-[2-[[2-[5-amino-4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2-methoxyanilino]-5-chloropyrimidin-4-yl]amino]-4-chloro-5-fluorophenyl]propan-2-ol;2-[4-chloro-2-[[5-chloro-2-[4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2-methoxy-5-nitroanilino]pyrimidin-4-yl]amino]-5-fluorophenyl]propan-2-ol;2-[4-chloro-2-[[5-chloro-2-(4-fluoro-2-methoxy-5-nitroanilino)pyrimidin-4-yl]amino]-5-fluorophenyl]propan-2-ol;2-[4-chloro-2-[(2,5-dichloropyrimidin-4-yl)amino]-5-fluorophenyl]propan-2-ol;(3R)-N,N-dimethylpyrrolidin-3-amine;4-fluoro-2-methoxy-5-nitroaniline;methanol;prop-2-enoyl chloride;2,4,5-trichloropyrimidine
• PubChem CID: 159620090
• Molecular Formula: C115H130Cl14F7N29O17
• Molecular Weight: 2819.82 g/mol
• Exact Mass: 2811.57
• IUPAC Name: 2-(2-amino-4-chloro-5-fluorophenyl)propan-2-ol;2-[2-[[2-[5-amino-4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2-methoxyanilino]-5-chloropyrimidin-4-yl]amino]-4-chloro-5-fluorophenyl]propan-2-ol;2-[4-chloro-2-[[5-chloro-2-[4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2-methoxy-5-nitroanilino]pyrimidin-4-yl]amino]-5-fluorophenyl]propan-2-ol;2-[4-chloro-2-[[5-chloro-2-(4-fluoro-2-methoxy-5-nitroanilino)pyrimidin-4-yl]amino]-5-fluorophenyl]propan-2-ol;2-[4-chloro-2-[(2,5-dichloropyrimidin-4-yl)amino]-5-fluorophenyl]propan-2-ol;(3R)-N,N-dimethylpyrrolidin-3-amine;4-fluoro-2-methoxy-5-nitroaniline;methanol;prop-2-enoyl chloride;2,4,5-trichloropyrimidine
• SMILES: C=CC(=O)Cl.CC(C)(O)c1cc(F)c(Cl)cc1N.CC(C)(O)c1cc(F)c(Cl)cc1Nc1nc(Cl)ncc1Cl.CN(C)[C@@H]1CCNC1.CO.COc1cc(F)c([N+](=O)[O-])cc1N.COc1cc(F)c([N+](=O)[O-])cc1Nc1ncc(Cl)c(Nc2cc(Cl)c(F)cc2C(C)(C)O)n1.COc1cc(N2CC[C@@H](N(C)C)C2)c(N)cc1Nc1ncc(Cl)c(Nc2cc(Cl)c(F)cc2C(C)(C)O)n1.COc1cc(N2CC[C@@H](N(C)C)C2)c([N+](=O)[O-])cc1Nc1ncc(Cl)c(Nc2cc(Cl)c(F)cc2C(C)(C)O)n1.Clc1ncc(Cl)c(Cl)n1
• InChI: InChI=1S/C26H30Cl2FN7O4.C26H32Cl2FN7O2.C20H17Cl2F2N5O4.C13H11Cl3FN3O.C9H11ClFNO.C7H7FN2O3.C6H14N2.C4HCl3N2.C3H3ClO.CH4O/c1-26(2,37)15-8-18(29)16(27)9-19(15)31-24-17(28)12-30-25(33-24)32-20-10-22(36(38)39)21(11-23(20)40-5)35-7-6-14(13-35)34(3)4;1-26(2,37)15-8-18(29)16(27)9-20(15)32-24-17(28)12-31-25(34-24)33-21-10-19(30)22(11-23(21)38-5)36-7-6-14(13-36)35(3)4;1-20(2,30)9-4-12(23)10(21)5-14(9)26-18-11(22)8-25-19(28-18)27-15-7-16(29(31)32)13(24)6-17(15)33-3;1-13(2,21)6-3-9(17)7(14)4-10(6)19-11-8(15)5-18-12(16)20-11;1-9(2,13)5-3-7(11)6(10)4-8(5)12;1-13-7-2-4(8)6(10(11)12)3-5(7)9;1-8(2)6-3-4-7-5-6;5-2-1-8-4(7)9-3(2)6;1-2-3(4)5;1-2/h8-12,14,37H,6-7,13H2,1-5H3,(H2,30,31,32,33);8-12,14,37H,6-7,13,30H2,1-5H3,(H2,31,32,33,34);4-8,30H,1-3H3,(H2,25,26,27,28);3-5,21H,1-2H3,(H,18,19,20);3-4,13H,12H2,1-2H3;2-3H,9H2,1H3;6-7H,3-5H2,1-2H3;1H;2H,1H2;2H,1H3/t2*14-;;;;;6-;;;/m11....1.../s1
• InChIKey: MNUCDLAVRBUZNO-NJRNPCEESA-N
• XLogP: 27.81
• TPSA: 624.19 Ų
• H-Bond Donors: 17
• H-Bond Acceptors: 43
• Rotatable Bonds: 32
• Heavy Atoms: 182
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2819.82
LogP ≤ 5	27.81
H-Bond Donors ≤ 5	17
H-Bond Acceptors ≤ 10	43

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-amino-4-chloro-5-fluorophenyl)propan-2-ol;2-[2-[[2-[5-amino-4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2-methoxyanilino]-5-chloropyrimidin-4-yl]amino]-4-chloro-5-fluorophenyl]propan-2-ol;2-[4-chloro-2-[[5-chloro-2-[4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2-methoxy-5-nitroanilino]pyrimidin-4-yl]amino]-5-fluorophenyl]propan-2-ol;2-[4-chloro-2-[[5-chloro-2-(4-fluoro-2-methoxy-5-nitroanilino)pyrimidin-4-yl]amino]-5-fluorophenyl]propan-2-ol;2-[4-chloro-2-[(2,5-dichloropyrimidin-4-yl)amino]-5-fluorophenyl]propan-2-ol;(3R)-N,N-dimethylpyrrolidin-3-amine;4-fluoro-2-methoxy-5-nitroaniline;methanol;prop-2-enoyl chloride;2,4,5-trichloropyrimidine?

The IUPAC name of 2-(2-amino-4-chloro-5-fluorophenyl)propan-2-ol;2-[2-[[2-[5-amino-4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2-methoxyanilino]-5-chloropyrimidin-4-yl]amino]-4-chloro-5-fluorophenyl]propan-2-ol;2-[4-chloro-2-[[5-chloro-2-[4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2-methoxy-5-nitroanilino]pyrimidin-4-yl]amino]-5-fluorophenyl]propan-2-ol;2-[4-chloro-2-[[5-chloro-2-(4-fluoro-2-methoxy-5-nitroanilino)pyrimidin-4-yl]amino]-5-fluorophenyl]propan-2-ol;2-[4-chloro-2-[(2,5-dichloropyrimidin-4-yl)amino]-5-fluorophenyl]propan-2-ol;(3R)-N,N-dimethylpyrrolidin-3-amine;4-fluoro-2-methoxy-5-nitroaniline;methanol;prop-2-enoyl chloride;2,4,5-trichloropyrimidine (CID 159620090) is 2-(2-amino-4-chloro-5-fluorophenyl)propan-2-ol;2-[2-[[2-[5-amino-4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2-methoxyanilino]-5-chloropyrimidin-4-yl]amino]-4-chloro-5-fluorophenyl]propan-2-ol;2-[4-chloro-2-[[5-chloro-2-[4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2-methoxy-5-nitroanilino]pyrimidin-4-yl]amino]-5-fluorophenyl]propan-2-ol;2-[4-chloro-2-[[5-chloro-2-(4-fluoro-2-methoxy-5-nitroanilino)pyrimidin-4-yl]amino]-5-fluorophenyl]propan-2-ol;2-[4-chloro-2-[(2,5-dichloropyrimidin-4-yl)amino]-5-fluorophenyl]propan-2-ol;(3R)-N,N-dimethylpyrrolidin-3-amine;4-fluoro-2-methoxy-5-nitroaniline;methanol;prop-2-enoyl chloride;2,4,5-trichloropyrimidine.

What is the SMILES notation for 2-(2-amino-4-chloro-5-fluorophenyl)propan-2-ol;2-[2-[[2-[5-amino-4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2-methoxyanilino]-5-chloropyrimidin-4-yl]amino]-4-chloro-5-fluorophenyl]propan-2-ol;2-[4-chloro-2-[[5-chloro-2-[4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2-methoxy-5-nitroanilino]pyrimidin-4-yl]amino]-5-fluorophenyl]propan-2-ol;2-[4-chloro-2-[[5-chloro-2-(4-fluoro-2-methoxy-5-nitroanilino)pyrimidin-4-yl]amino]-5-fluorophenyl]propan-2-ol;2-[4-chloro-2-[(2,5-dichloropyrimidin-4-yl)amino]-5-fluorophenyl]propan-2-ol;(3R)-N,N-dimethylpyrrolidin-3-amine;4-fluoro-2-methoxy-5-nitroaniline;methanol;prop-2-enoyl chloride;2,4,5-trichloropyrimidine?

The canonical SMILES for 2-(2-amino-4-chloro-5-fluorophenyl)propan-2-ol;2-[2-[[2-[5-amino-4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2-methoxyanilino]-5-chloropyrimidin-4-yl]amino]-4-chloro-5-fluorophenyl]propan-2-ol;2-[4-chloro-2-[[5-chloro-2-[4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2-methoxy-5-nitroanilino]pyrimidin-4-yl]amino]-5-fluorophenyl]propan-2-ol;2-[4-chloro-2-[[5-chloro-2-(4-fluoro-2-methoxy-5-nitroanilino)pyrimidin-4-yl]amino]-5-fluorophenyl]propan-2-ol;2-[4-chloro-2-[(2,5-dichloropyrimidin-4-yl)amino]-5-fluorophenyl]propan-2-ol;(3R)-N,N-dimethylpyrrolidin-3-amine;4-fluoro-2-methoxy-5-nitroaniline;methanol;prop-2-enoyl chloride;2,4,5-trichloropyrimidine is C=CC(=O)Cl.CC(C)(O)c1cc(F)c(Cl)cc1N.CC(C)(O)c1cc(F)c(Cl)cc1Nc1nc(Cl)ncc1Cl.CN(C)[C@@H]1CCNC1.CO.COc1cc(F)c([N+](=O)[O-])cc1N.COc1cc(F)c([N+](=O)[O-])cc1Nc1ncc(Cl)c(Nc2cc(Cl)c(F)cc2C(C)(C)O)n1.COc1cc(N2CC[C@@H](N(C)C)C2)c(N)cc1Nc1ncc(Cl)c(Nc2cc(Cl)c(F)cc2C(C)(C)O)n1.COc1cc(N2CC[C@@H](N(C)C)C2)c([N+](=O)[O-])cc1Nc1ncc(Cl)c(Nc2cc(Cl)c(F)cc2C(C)(C)O)n1.Clc1ncc(Cl)c(Cl)n1.

What is the InChIKey of 2-(2-amino-4-chloro-5-fluorophenyl)propan-2-ol;2-[2-[[2-[5-amino-4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2-methoxyanilino]-5-chloropyrimidin-4-yl]amino]-4-chloro-5-fluorophenyl]propan-2-ol;2-[4-chloro-2-[[5-chloro-2-[4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2-methoxy-5-nitroanilino]pyrimidin-4-yl]amino]-5-fluorophenyl]propan-2-ol;2-[4-chloro-2-[[5-chloro-2-(4-fluoro-2-methoxy-5-nitroanilino)pyrimidin-4-yl]amino]-5-fluorophenyl]propan-2-ol;2-[4-chloro-2-[(2,5-dichloropyrimidin-4-yl)amino]-5-fluorophenyl]propan-2-ol;(3R)-N,N-dimethylpyrrolidin-3-amine;4-fluoro-2-methoxy-5-nitroaniline;methanol;prop-2-enoyl chloride;2,4,5-trichloropyrimidine?

The InChIKey is MNUCDLAVRBUZNO-NJRNPCEESA-N. The full InChI is InChI=1S/C26H30Cl2FN7O4.C26H32Cl2FN7O2.C20H17Cl2F2N5O4.C13H11Cl3FN3O.C9H11ClFNO.C7H7FN2O3.C6H14N2.C4HCl3N2.C3H3ClO.CH4O/c1-26(2,37)15-8-18(29)16(27)9-19(15)31-24-17(28)12-30-25(33-24)32-20-10-22(36(38)39)21(11-23(20)40-5)35-7-6-14(13-35)34(3)4;1-26(2,37)15-8-18(29)16(27)9-20(15)32-24-17(28)12-31-25(34-24)33-21-10-19(30)22(11-23(21)38-5)36-7-6-14(13-36)35(3)4;1-20(2,30)9-4-12(23)10(21)5-14(9)26-18-11(22)8-25-19(28-18)27-15-7-16(29(31)32)13(24)6-17(15)33-3;1-13(2,21)6-3-9(17)7(14)4-10(6)19-11-8(15)5-18-12(16)20-11;1-9(2,13)5-3-7(11)6(10)4-8(5)12;1-13-7-2-4(8)6(10(11)12)3-5(7)9;1-8(2)6-3-4-7-5-6;5-2-1-8-4(7)9-3(2)6;1-2-3(4)5;1-2/h8-12,14,37H,6-7,13H2,1-5H3,(H2,30,31,32,33);8-12,14,37H,6-7,13,30H2,1-5H3,(H2,31,32,33,34);4-8,30H,1-3H3,(H2,25,26,27,28);3-5,21H,1-2H3,(H,18,19,20);3-4,13H,12H2,1-2H3;2-3H,9H2,1H3;6-7H,3-5H2,1-2H3;1H;2H,1H2;2H,1H3/t2*14-;;;;;6-;;;/m11....1.../s1.

What are the key properties of 2-(2-amino-4-chloro-5-fluorophenyl)propan-2-ol;2-[2-[[2-[5-amino-4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2-methoxyanilino]-5-chloropyrimidin-4-yl]amino]-4-chloro-5-fluorophenyl]propan-2-ol;2-[4-chloro-2-[[5-chloro-2-[4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2-methoxy-5-nitroanilino]pyrimidin-4-yl]amino]-5-fluorophenyl]propan-2-ol;2-[4-chloro-2-[[5-chloro-2-(4-fluoro-2-methoxy-5-nitroanilino)pyrimidin-4-yl]amino]-5-fluorophenyl]propan-2-ol;2-[4-chloro-2-[(2,5-dichloropyrimidin-4-yl)amino]-5-fluorophenyl]propan-2-ol;(3R)-N,N-dimethylpyrrolidin-3-amine;4-fluoro-2-methoxy-5-nitroaniline;methanol;prop-2-enoyl chloride;2,4,5-trichloropyrimidine?

2-(2-amino-4-chloro-5-fluorophenyl)propan-2-ol;2-[2-[[2-[5-amino-4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2-methoxyanilino]-5-chloropyrimidin-4-yl]amino]-4-chloro-5-fluorophenyl]propan-2-ol;2-[4-chloro-2-[[5-chloro-2-[4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2-methoxy-5-nitroanilino]pyrimidin-4-yl]amino]-5-fluorophenyl]propan-2-ol;2-[4-chloro-2-[[5-chloro-2-(4-fluoro-2-methoxy-5-nitroanilino)pyrimidin-4-yl]amino]-5-fluorophenyl]propan-2-ol;2-[4-chloro-2-[(2,5-dichloropyrimidin-4-yl)amino]-5-fluorophenyl]propan-2-ol;(3R)-N,N-dimethylpyrrolidin-3-amine;4-fluoro-2-methoxy-5-nitroaniline;methanol;prop-2-enoyl chloride;2,4,5-trichloropyrimidine has a molecular weight of 2819.82 g/mol, XLogP of 27.81, 32 rotatable bonds, 17 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-amino-4-chloro-5-fluorophenyl)propan-2-ol;2-[2-[[2-[5-amino-4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2-methoxyanilino]-5-chloropyrimidin-4-yl]amino]-4-chloro-5-fluorophenyl]propan-2-ol;2-[4-chloro-2-[[5-chloro-2-[4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2-methoxy-5-nitroanilino]pyrimidin-4-yl]amino]-5-fluorophenyl]propan-2-ol;2-[4-chloro-2-[[5-chloro-2-(4-fluoro-2-methoxy-5-nitroanilino)pyrimidin-4-yl]amino]-5-fluorophenyl]propan-2-ol;2-[4-chloro-2-[(2,5-dichloropyrimidin-4-yl)amino]-5-fluorophenyl]propan-2-ol;(3R)-N,N-dimethylpyrrolidin-3-amine;4-fluoro-2-methoxy-5-nitroaniline;methanol;prop-2-enoyl chloride;2,4,5-trichloropyrimidine is sourced from PubChem (CID 159620090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).