5-chloro-N-(4-fluoro-2-methoxy-5-nitrophenyl)-4-(6-methoxy-1-methylindol-3-yl)pyrimidin-2-amine;N-[5-[[5-chloro-4-(6-methoxy-1-methylindol-3-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;4-N-[5-chloro-4-(6-methoxy-1-methylindol-3-yl)pyrimidin-2-yl]-1-N-[2-(dimethylamino)ethyl]-5-methoxy-1-N-methylbenzene-1,2,4-triamine;1-N-[5-chloro-4-(6-methoxy-1-methylindol-3-yl)pyrimidin-2-yl]-4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-5-nitrobenzene-1,4-diamine;3-(2,5-dichloropyrimidin-4-yl)-6-methoxy-1-methylindole

C116H124Cl6FN29O14 — CID 159200030

About 5-chloro-N-(4-fluoro-2-methoxy-5-nitrophenyl)-4-(6-methoxy-1-methylindol-3-yl)pyrimidin-2-amine;N-[5-[[5-chloro-4-(6-methoxy-1-methylindol-3-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;4-N-[5-chloro-4-(6-methoxy-1-methylindol-3-yl)pyrimidin-2-yl]-1-N-[2-(dimethylamino)ethyl]-5-methoxy-1-N-methylbenzene-1,2,4-triamine;1-N-[5-chloro-4-(6-methoxy-1-methylindol-3-yl)pyrimidin-2-yl]-4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-5-nitrobenzene-1,4-diamine;3-(2,5-dichloropyrimidin-4-yl)-6-methoxy-1-methylindole

5-chloro-N-(4-fluoro-2-methoxy-5-nitrophenyl)-4-(6-methoxy-1-methylindol-3-yl)pyrimidin-2-amine;N-[5-[[5-chloro-4-(6-methoxy-1-methylindol-3-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;4-N-[5-chloro-4-(6-methoxy-1-methylindol-3-yl)pyrimidin-2-yl]-1-N-[2-(dimethylamino)ethyl]-5-methoxy-1-N-methylbenzene-1,2,4-triamine;1-N-[5-chloro-4-(6-methoxy-1-methylindol-3-yl)pyrimidin-2-yl]-4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-5-nitrobenzene-1,4-diamine;3-(2,5-dichloropyrimidin-4-yl)-6-methoxy-1-methylindole (PubChem CID 159200030) has the molecular formula C116H124Cl6FN29O14 and a molecular weight of 2380.17 g/mol. Its IUPAC name is 5-chloro-N-(4-fluoro-2-methoxy-5-nitrophenyl)-4-(6-methoxy-1-methylindol-3-yl)pyrimidin-2-amine;N-[5-[[5-chloro-4-(6-methoxy-1-methylindol-3-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;4-N-[5-chloro-4-(6-methoxy-1-methylindol-3-yl)pyrimidin-2-yl]-1-N-[2-(dimethylamino)ethyl]-5-methoxy-1-N-methylbenzene-1,2,4-triamine;1-N-[5-chloro-4-(6-methoxy-1-methylindol-3-yl)pyrimidin-2-yl]-4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-5-nitrobenzene-1,4-diamine;3-(2,5-dichloropyrimidin-4-yl)-6-methoxy-1-methylindole.

Molecular Properties

• Compound Name: 5-chloro-N-(4-fluoro-2-methoxy-5-nitrophenyl)-4-(6-methoxy-1-methylindol-3-yl)pyrimidin-2-amine;N-[5-[[5-chloro-4-(6-methoxy-1-methylindol-3-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;4-N-[5-chloro-4-(6-methoxy-1-methylindol-3-yl)pyrimidin-2-yl]-1-N-[2-(dimethylamino)ethyl]-5-methoxy-1-N-methylbenzene-1,2,4-triamine;1-N-[5-chloro-4-(6-methoxy-1-methylindol-3-yl)pyrimidin-2-yl]-4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-5-nitrobenzene-1,4-diamine;3-(2,5-dichloropyrimidin-4-yl)-6-methoxy-1-methylindole
• PubChem CID: 159200030
• Molecular Formula: C116H124Cl6FN29O14
• Molecular Weight: 2380.17 g/mol
• Exact Mass: 2375.80
• IUPAC Name: 5-chloro-N-(4-fluoro-2-methoxy-5-nitrophenyl)-4-(6-methoxy-1-methylindol-3-yl)pyrimidin-2-amine;N-[5-[[5-chloro-4-(6-methoxy-1-methylindol-3-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;4-N-[5-chloro-4-(6-methoxy-1-methylindol-3-yl)pyrimidin-2-yl]-1-N-[2-(dimethylamino)ethyl]-5-methoxy-1-N-methylbenzene-1,2,4-triamine;1-N-[5-chloro-4-(6-methoxy-1-methylindol-3-yl)pyrimidin-2-yl]-4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-5-nitrobenzene-1,4-diamine;3-(2,5-dichloropyrimidin-4-yl)-6-methoxy-1-methylindole
• SMILES: C=CC(=O)Nc1cc(Nc2ncc(Cl)c(-c3cn(C)c4cc(OC)ccc34)n2)c(OC)cc1N(C)CCN(C)C.COc1ccc2c(-c3nc(Cl)ncc3Cl)cn(C)c2c1.COc1ccc2c(-c3nc(Nc4cc(N)c(N(C)CCN(C)C)cc4OC)ncc3Cl)cn(C)c2c1.COc1ccc2c(-c3nc(Nc4cc([N+](=O)[O-])c(F)cc4OC)ncc3Cl)cn(C)c2c1.COc1ccc2c(-c3nc(Nc4cc([N+](=O)[O-])c(N(C)CCN(C)C)cc4OC)ncc3Cl)cn(C)c2c1
• InChI: InChI=1S/C29H34ClN7O3.C26H30ClN7O4.C26H32ClN7O2.C21H17ClFN5O4.C14H11Cl2N3O/c1-8-27(38)32-22-14-23(26(40-7)15-25(22)36(4)12-11-35(2)3)33-29-31-16-21(30)28(34-29)20-17-37(5)24-13-18(39-6)9-10-19(20)24;1-31(2)9-10-32(3)22-13-24(38-6)20(12-23(22)34(35)36)29-26-28-14-19(27)25(30-26)18-15-33(4)21-11-16(37-5)7-8-17(18)21;1-32(2)9-10-33(3)23-13-24(36-6)21(12-20(23)28)30-26-29-14-19(27)25(31-26)18-15-34(4)22-11-16(35-5)7-8-17(18)22;1-27-10-13(12-5-4-11(31-2)6-17(12)27)20-14(22)9-24-21(26-20)25-16-8-18(28(29)30)15(23)7-19(16)32-3;1-19-7-10(13-11(15)6-17-14(16)18-13)9-4-3-8(20-2)5-12(9)19/h8-10,13-17H,1,11-12H2,2-7H3,(H,32,38)(H,31,33,34);7-8,11-15H,9-10H2,1-6H3,(H,28,29,30);7-8,11-15H,9-10,28H2,1-6H3,(H,29,30,31);4-10H,1-3H3,(H,24,25,26);3-7H,1-2H3
• InChIKey: KPEADIAQKFUKDT-UHFFFAOYSA-N
• XLogP: 23.80
• TPSA: 445.58 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 40
• Rotatable Bonds: 38
• Heavy Atoms: 166
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2380.17
LogP ≤ 5	23.80
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

• Structural Alerts: {'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 5-chloro-N-(4-fluoro-2-methoxy-5-nitrophenyl)-4-(6-methoxy-1-methylindol-3-yl)pyrimidin-2-amine;N-[5-[[5-chloro-4-(6-methoxy-1-methylindol-3-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;4-N-[5-chloro-4-(6-methoxy-1-methylindol-3-yl)pyrimidin-2-yl]-1-N-[2-(dimethylamino)ethyl]-5-methoxy-1-N-methylbenzene-1,2,4-triamine;1-N-[5-chloro-4-(6-methoxy-1-methylindol-3-yl)pyrimidin-2-yl]-4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-5-nitrobenzene-1,4-diamine;3-(2,5-dichloropyrimidin-4-yl)-6-methoxy-1-methylindole?

The IUPAC name of 5-chloro-N-(4-fluoro-2-methoxy-5-nitrophenyl)-4-(6-methoxy-1-methylindol-3-yl)pyrimidin-2-amine;N-[5-[[5-chloro-4-(6-methoxy-1-methylindol-3-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;4-N-[5-chloro-4-(6-methoxy-1-methylindol-3-yl)pyrimidin-2-yl]-1-N-[2-(dimethylamino)ethyl]-5-methoxy-1-N-methylbenzene-1,2,4-triamine;1-N-[5-chloro-4-(6-methoxy-1-methylindol-3-yl)pyrimidin-2-yl]-4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-5-nitrobenzene-1,4-diamine;3-(2,5-dichloropyrimidin-4-yl)-6-methoxy-1-methylindole (CID 159200030) is 5-chloro-N-(4-fluoro-2-methoxy-5-nitrophenyl)-4-(6-methoxy-1-methylindol-3-yl)pyrimidin-2-amine;N-[5-[[5-chloro-4-(6-methoxy-1-methylindol-3-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;4-N-[5-chloro-4-(6-methoxy-1-methylindol-3-yl)pyrimidin-2-yl]-1-N-[2-(dimethylamino)ethyl]-5-methoxy-1-N-methylbenzene-1,2,4-triamine;1-N-[5-chloro-4-(6-methoxy-1-methylindol-3-yl)pyrimidin-2-yl]-4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-5-nitrobenzene-1,4-diamine;3-(2,5-dichloropyrimidin-4-yl)-6-methoxy-1-methylindole.

What is the SMILES notation for 5-chloro-N-(4-fluoro-2-methoxy-5-nitrophenyl)-4-(6-methoxy-1-methylindol-3-yl)pyrimidin-2-amine;N-[5-[[5-chloro-4-(6-methoxy-1-methylindol-3-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;4-N-[5-chloro-4-(6-methoxy-1-methylindol-3-yl)pyrimidin-2-yl]-1-N-[2-(dimethylamino)ethyl]-5-methoxy-1-N-methylbenzene-1,2,4-triamine;1-N-[5-chloro-4-(6-methoxy-1-methylindol-3-yl)pyrimidin-2-yl]-4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-5-nitrobenzene-1,4-diamine;3-(2,5-dichloropyrimidin-4-yl)-6-methoxy-1-methylindole?

The canonical SMILES for 5-chloro-N-(4-fluoro-2-methoxy-5-nitrophenyl)-4-(6-methoxy-1-methylindol-3-yl)pyrimidin-2-amine;N-[5-[[5-chloro-4-(6-methoxy-1-methylindol-3-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;4-N-[5-chloro-4-(6-methoxy-1-methylindol-3-yl)pyrimidin-2-yl]-1-N-[2-(dimethylamino)ethyl]-5-methoxy-1-N-methylbenzene-1,2,4-triamine;1-N-[5-chloro-4-(6-methoxy-1-methylindol-3-yl)pyrimidin-2-yl]-4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-5-nitrobenzene-1,4-diamine;3-(2,5-dichloropyrimidin-4-yl)-6-methoxy-1-methylindole is C=CC(=O)Nc1cc(Nc2ncc(Cl)c(-c3cn(C)c4cc(OC)ccc34)n2)c(OC)cc1N(C)CCN(C)C.COc1ccc2c(-c3nc(Cl)ncc3Cl)cn(C)c2c1.COc1ccc2c(-c3nc(Nc4cc(N)c(N(C)CCN(C)C)cc4OC)ncc3Cl)cn(C)c2c1.COc1ccc2c(-c3nc(Nc4cc([N+](=O)[O-])c(F)cc4OC)ncc3Cl)cn(C)c2c1.COc1ccc2c(-c3nc(Nc4cc([N+](=O)[O-])c(N(C)CCN(C)C)cc4OC)ncc3Cl)cn(C)c2c1.

What is the InChIKey of 5-chloro-N-(4-fluoro-2-methoxy-5-nitrophenyl)-4-(6-methoxy-1-methylindol-3-yl)pyrimidin-2-amine;N-[5-[[5-chloro-4-(6-methoxy-1-methylindol-3-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;4-N-[5-chloro-4-(6-methoxy-1-methylindol-3-yl)pyrimidin-2-yl]-1-N-[2-(dimethylamino)ethyl]-5-methoxy-1-N-methylbenzene-1,2,4-triamine;1-N-[5-chloro-4-(6-methoxy-1-methylindol-3-yl)pyrimidin-2-yl]-4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-5-nitrobenzene-1,4-diamine;3-(2,5-dichloropyrimidin-4-yl)-6-methoxy-1-methylindole?

The InChIKey is KPEADIAQKFUKDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34ClN7O3.C26H30ClN7O4.C26H32ClN7O2.C21H17ClFN5O4.C14H11Cl2N3O/c1-8-27(38)32-22-14-23(26(40-7)15-25(22)36(4)12-11-35(2)3)33-29-31-16-21(30)28(34-29)20-17-37(5)24-13-18(39-6)9-10-19(20)24;1-31(2)9-10-32(3)22-13-24(38-6)20(12-23(22)34(35)36)29-26-28-14-19(27)25(30-26)18-15-33(4)21-11-16(37-5)7-8-17(18)21;1-32(2)9-10-33(3)23-13-24(36-6)21(12-20(23)28)30-26-29-14-19(27)25(31-26)18-15-34(4)22-11-16(35-5)7-8-17(18)22;1-27-10-13(12-5-4-11(31-2)6-17(12)27)20-14(22)9-24-21(26-20)25-16-8-18(28(29)30)15(23)7-19(16)32-3;1-19-7-10(13-11(15)6-17-14(16)18-13)9-4-3-8(20-2)5-12(9)19/h8-10,13-17H,1,11-12H2,2-7H3,(H,32,38)(H,31,33,34);7-8,11-15H,9-10H2,1-6H3,(H,28,29,30);7-8,11-15H,9-10,28H2,1-6H3,(H,29,30,31);4-10H,1-3H3,(H,24,25,26);3-7H,1-2H3.

What are the key properties of 5-chloro-N-(4-fluoro-2-methoxy-5-nitrophenyl)-4-(6-methoxy-1-methylindol-3-yl)pyrimidin-2-amine;N-[5-[[5-chloro-4-(6-methoxy-1-methylindol-3-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;4-N-[5-chloro-4-(6-methoxy-1-methylindol-3-yl)pyrimidin-2-yl]-1-N-[2-(dimethylamino)ethyl]-5-methoxy-1-N-methylbenzene-1,2,4-triamine;1-N-[5-chloro-4-(6-methoxy-1-methylindol-3-yl)pyrimidin-2-yl]-4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-5-nitrobenzene-1,4-diamine;3-(2,5-dichloropyrimidin-4-yl)-6-methoxy-1-methylindole?

5-chloro-N-(4-fluoro-2-methoxy-5-nitrophenyl)-4-(6-methoxy-1-methylindol-3-yl)pyrimidin-2-amine;N-[5-[[5-chloro-4-(6-methoxy-1-methylindol-3-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;4-N-[5-chloro-4-(6-methoxy-1-methylindol-3-yl)pyrimidin-2-yl]-1-N-[2-(dimethylamino)ethyl]-5-methoxy-1-N-methylbenzene-1,2,4-triamine;1-N-[5-chloro-4-(6-methoxy-1-methylindol-3-yl)pyrimidin-2-yl]-4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-5-nitrobenzene-1,4-diamine;3-(2,5-dichloropyrimidin-4-yl)-6-methoxy-1-methylindole has a molecular weight of 2380.17 g/mol, XLogP of 23.80, 38 rotatable bonds, 6 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-N-(4-fluoro-2-methoxy-5-nitrophenyl)-4-(6-methoxy-1-methylindol-3-yl)pyrimidin-2-amine;N-[5-[[5-chloro-4-(6-methoxy-1-methylindol-3-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;4-N-[5-chloro-4-(6-methoxy-1-methylindol-3-yl)pyrimidin-2-yl]-1-N-[2-(dimethylamino)ethyl]-5-methoxy-1-N-methylbenzene-1,2,4-triamine;1-N-[5-chloro-4-(6-methoxy-1-methylindol-3-yl)pyrimidin-2-yl]-4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-5-nitrobenzene-1,4-diamine;3-(2,5-dichloropyrimidin-4-yl)-6-methoxy-1-methylindole is sourced from PubChem (CID 159200030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).