6-(5-amino-2-methylphenyl)-2-[3-methyl-4-(4-methylpiperazin-1-yl)anilino]-7,8-dihydropyrido[4,3-d]pyrimidin-5-one;(3E)-3-(dimethylaminomethylidene)-1-(2-methyl-5-nitrophenyl)piperidine-2,4-dione;3-methylbenzoic acid;N-[4-methyl-3-[2-[3-methyl-4-(4-methylpiperazin-1-yl)anilino]-5-oxo-7,8-dihydropyrido[4,3-d]pyrimidin-6-yl]phenyl]-3-(trifluoromethyl)benzamide;2-[3-methyl-4-(4-methylpiperazin-1-yl)anilino]-6-(2-methyl-5-nitrophenyl)-7,8-dihydropyrido[4,3-d]pyrimidin-5-one;2-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]guanidine

C122H140F3N29O12 — CID 159640206

About 6-(5-amino-2-methylphenyl)-2-[3-methyl-4-(4-methylpiperazin-1-yl)anilino]-7,8-dihydropyrido[4,3-d]pyrimidin-5-one;(3E)-3-(dimethylaminomethylidene)-1-(2-methyl-5-nitrophenyl)piperidine-2,4-dione;3-methylbenzoic acid;N-[4-methyl-3-[2-[3-methyl-4-(4-methylpiperazin-1-yl)anilino]-5-oxo-7,8-dihydropyrido[4,3-d]pyrimidin-6-yl]phenyl]-3-(trifluoromethyl)benzamide;2-[3-methyl-4-(4-methylpiperazin-1-yl)anilino]-6-(2-methyl-5-nitrophenyl)-7,8-dihydropyrido[4,3-d]pyrimidin-5-one;2-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]guanidine

6-(5-amino-2-methylphenyl)-2-[3-methyl-4-(4-methylpiperazin-1-yl)anilino]-7,8-dihydropyrido[4,3-d]pyrimidin-5-one;(3E)-3-(dimethylaminomethylidene)-1-(2-methyl-5-nitrophenyl)piperidine-2,4-dione;3-methylbenzoic acid;N-[4-methyl-3-[2-[3-methyl-4-(4-methylpiperazin-1-yl)anilino]-5-oxo-7,8-dihydropyrido[4,3-d]pyrimidin-6-yl]phenyl]-3-(trifluoromethyl)benzamide;2-[3-methyl-4-(4-methylpiperazin-1-yl)anilino]-6-(2-methyl-5-nitrophenyl)-7,8-dihydropyrido[4,3-d]pyrimidin-5-one;2-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]guanidine (PubChem CID 159640206) has the molecular formula C122H140F3N29O12 and a molecular weight of 2261.65 g/mol. Its IUPAC name is 6-(5-amino-2-methylphenyl)-2-[3-methyl-4-(4-methylpiperazin-1-yl)anilino]-7,8-dihydropyrido[4,3-d]pyrimidin-5-one;(3E)-3-(dimethylaminomethylidene)-1-(2-methyl-5-nitrophenyl)piperidine-2,4-dione;3-methylbenzoic acid;N-[4-methyl-3-[2-[3-methyl-4-(4-methylpiperazin-1-yl)anilino]-5-oxo-7,8-dihydropyrido[4,3-d]pyrimidin-6-yl]phenyl]-3-(trifluoromethyl)benzamide;2-[3-methyl-4-(4-methylpiperazin-1-yl)anilino]-6-(2-methyl-5-nitrophenyl)-7,8-dihydropyrido[4,3-d]pyrimidin-5-one;2-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]guanidine.

Molecular Properties

• Compound Name: 6-(5-amino-2-methylphenyl)-2-[3-methyl-4-(4-methylpiperazin-1-yl)anilino]-7,8-dihydropyrido[4,3-d]pyrimidin-5-one;(3E)-3-(dimethylaminomethylidene)-1-(2-methyl-5-nitrophenyl)piperidine-2,4-dione;3-methylbenzoic acid;N-[4-methyl-3-[2-[3-methyl-4-(4-methylpiperazin-1-yl)anilino]-5-oxo-7,8-dihydropyrido[4,3-d]pyrimidin-6-yl]phenyl]-3-(trifluoromethyl)benzamide;2-[3-methyl-4-(4-methylpiperazin-1-yl)anilino]-6-(2-methyl-5-nitrophenyl)-7,8-dihydropyrido[4,3-d]pyrimidin-5-one;2-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]guanidine
• PubChem CID: 159640206
• Molecular Formula: C122H140F3N29O12
• Molecular Weight: 2261.65 g/mol
• Exact Mass: 2260.12
• IUPAC Name: 6-(5-amino-2-methylphenyl)-2-[3-methyl-4-(4-methylpiperazin-1-yl)anilino]-7,8-dihydropyrido[4,3-d]pyrimidin-5-one;(3E)-3-(dimethylaminomethylidene)-1-(2-methyl-5-nitrophenyl)piperidine-2,4-dione;3-methylbenzoic acid;N-[4-methyl-3-[2-[3-methyl-4-(4-methylpiperazin-1-yl)anilino]-5-oxo-7,8-dihydropyrido[4,3-d]pyrimidin-6-yl]phenyl]-3-(trifluoromethyl)benzamide;2-[3-methyl-4-(4-methylpiperazin-1-yl)anilino]-6-(2-methyl-5-nitrophenyl)-7,8-dihydropyrido[4,3-d]pyrimidin-5-one;2-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]guanidine
• SMILES: Cc1cc(N=C(N)N)ccc1N1CCN(C)CC1.Cc1cc(Nc2ncc3c(n2)CCN(c2cc(N)ccc2C)C3=O)ccc1N1CCN(C)CC1.Cc1cc(Nc2ncc3c(n2)CCN(c2cc(NC(=O)c4cccc(C(F)(F)F)c4)ccc2C)C3=O)ccc1N1CCN(C)CC1.Cc1cc(Nc2ncc3c(n2)CCN(c2cc([N+](=O)[O-])ccc2C)C3=O)ccc1N1CCN(C)CC1.Cc1ccc([N+](=O)[O-])cc1N1CCC(=O)/C(=C\N(C)C)C1=O.Cc1cccc(C(=O)O)c1
• InChI: InChI=1S/C34H34F3N7O2.C26H29N7O3.C26H31N7O.C15H17N3O4.C13H21N5.C8H8O2/c1-21-7-8-26(39-31(45)23-5-4-6-24(18-23)34(35,36)37)19-30(21)44-12-11-28-27(32(44)46)20-38-33(41-28)40-25-9-10-29(22(2)17-25)43-15-13-42(3)14-16-43;1-17-4-6-20(33(35)36)15-24(17)32-9-8-22-21(25(32)34)16-27-26(29-22)28-19-5-7-23(18(2)14-19)31-12-10-30(3)11-13-31;1-17-4-5-19(27)15-24(17)33-9-8-22-21(25(33)34)16-28-26(30-22)29-20-6-7-23(18(2)14-20)32-12-10-31(3)11-13-32;1-10-4-5-11(18(21)22)8-13(10)17-7-6-14(19)12(15(17)20)9-16(2)3;1-10-9-11(16-13(14)15)3-4-12(10)18-7-5-17(2)6-8-18;1-6-3-2-4-7(5-6)8(9)10/h4-10,17-20H,11-16H2,1-3H3,(H,39,45)(H,38,40,41);4-7,14-16H,8-13H2,1-3H3,(H,27,28,29);4-7,14-16H,8-13,27H2,1-3H3,(H,28,29,30);4-5,8-9H,6-7H2,1-3H3;3-4,9H,5-8H2,1-2H3,(H4,14,15,16);2-5H,1H3,(H,9,10)/b;;;12-9+
• InChIKey: MQGGTVNVFIOMLI-RGXFRRAASA-N
• XLogP: 17.14
• TPSA: 484.00 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 31
• Rotatable Bonds: 21
• Heavy Atoms: 166
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2261.65
LogP ≤ 5	17.14
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-(5-amino-2-methylphenyl)-2-[3-methyl-4-(4-methylpiperazin-1-yl)anilino]-7,8-dihydropyrido[4,3-d]pyrimidin-5-one;(3E)-3-(dimethylaminomethylidene)-1-(2-methyl-5-nitrophenyl)piperidine-2,4-dione;3-methylbenzoic acid;N-[4-methyl-3-[2-[3-methyl-4-(4-methylpiperazin-1-yl)anilino]-5-oxo-7,8-dihydropyrido[4,3-d]pyrimidin-6-yl]phenyl]-3-(trifluoromethyl)benzamide;2-[3-methyl-4-(4-methylpiperazin-1-yl)anilino]-6-(2-methyl-5-nitrophenyl)-7,8-dihydropyrido[4,3-d]pyrimidin-5-one;2-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]guanidine?

The IUPAC name of 6-(5-amino-2-methylphenyl)-2-[3-methyl-4-(4-methylpiperazin-1-yl)anilino]-7,8-dihydropyrido[4,3-d]pyrimidin-5-one;(3E)-3-(dimethylaminomethylidene)-1-(2-methyl-5-nitrophenyl)piperidine-2,4-dione;3-methylbenzoic acid;N-[4-methyl-3-[2-[3-methyl-4-(4-methylpiperazin-1-yl)anilino]-5-oxo-7,8-dihydropyrido[4,3-d]pyrimidin-6-yl]phenyl]-3-(trifluoromethyl)benzamide;2-[3-methyl-4-(4-methylpiperazin-1-yl)anilino]-6-(2-methyl-5-nitrophenyl)-7,8-dihydropyrido[4,3-d]pyrimidin-5-one;2-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]guanidine (CID 159640206) is 6-(5-amino-2-methylphenyl)-2-[3-methyl-4-(4-methylpiperazin-1-yl)anilino]-7,8-dihydropyrido[4,3-d]pyrimidin-5-one;(3E)-3-(dimethylaminomethylidene)-1-(2-methyl-5-nitrophenyl)piperidine-2,4-dione;3-methylbenzoic acid;N-[4-methyl-3-[2-[3-methyl-4-(4-methylpiperazin-1-yl)anilino]-5-oxo-7,8-dihydropyrido[4,3-d]pyrimidin-6-yl]phenyl]-3-(trifluoromethyl)benzamide;2-[3-methyl-4-(4-methylpiperazin-1-yl)anilino]-6-(2-methyl-5-nitrophenyl)-7,8-dihydropyrido[4,3-d]pyrimidin-5-one;2-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]guanidine.

What is the SMILES notation for 6-(5-amino-2-methylphenyl)-2-[3-methyl-4-(4-methylpiperazin-1-yl)anilino]-7,8-dihydropyrido[4,3-d]pyrimidin-5-one;(3E)-3-(dimethylaminomethylidene)-1-(2-methyl-5-nitrophenyl)piperidine-2,4-dione;3-methylbenzoic acid;N-[4-methyl-3-[2-[3-methyl-4-(4-methylpiperazin-1-yl)anilino]-5-oxo-7,8-dihydropyrido[4,3-d]pyrimidin-6-yl]phenyl]-3-(trifluoromethyl)benzamide;2-[3-methyl-4-(4-methylpiperazin-1-yl)anilino]-6-(2-methyl-5-nitrophenyl)-7,8-dihydropyrido[4,3-d]pyrimidin-5-one;2-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]guanidine?

The canonical SMILES for 6-(5-amino-2-methylphenyl)-2-[3-methyl-4-(4-methylpiperazin-1-yl)anilino]-7,8-dihydropyrido[4,3-d]pyrimidin-5-one;(3E)-3-(dimethylaminomethylidene)-1-(2-methyl-5-nitrophenyl)piperidine-2,4-dione;3-methylbenzoic acid;N-[4-methyl-3-[2-[3-methyl-4-(4-methylpiperazin-1-yl)anilino]-5-oxo-7,8-dihydropyrido[4,3-d]pyrimidin-6-yl]phenyl]-3-(trifluoromethyl)benzamide;2-[3-methyl-4-(4-methylpiperazin-1-yl)anilino]-6-(2-methyl-5-nitrophenyl)-7,8-dihydropyrido[4,3-d]pyrimidin-5-one;2-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]guanidine is Cc1cc(N=C(N)N)ccc1N1CCN(C)CC1.Cc1cc(Nc2ncc3c(n2)CCN(c2cc(N)ccc2C)C3=O)ccc1N1CCN(C)CC1.Cc1cc(Nc2ncc3c(n2)CCN(c2cc(NC(=O)c4cccc(C(F)(F)F)c4)ccc2C)C3=O)ccc1N1CCN(C)CC1.Cc1cc(Nc2ncc3c(n2)CCN(c2cc([N+](=O)[O-])ccc2C)C3=O)ccc1N1CCN(C)CC1.Cc1ccc([N+](=O)[O-])cc1N1CCC(=O)/C(=C\N(C)C)C1=O.Cc1cccc(C(=O)O)c1.

What is the InChIKey of 6-(5-amino-2-methylphenyl)-2-[3-methyl-4-(4-methylpiperazin-1-yl)anilino]-7,8-dihydropyrido[4,3-d]pyrimidin-5-one;(3E)-3-(dimethylaminomethylidene)-1-(2-methyl-5-nitrophenyl)piperidine-2,4-dione;3-methylbenzoic acid;N-[4-methyl-3-[2-[3-methyl-4-(4-methylpiperazin-1-yl)anilino]-5-oxo-7,8-dihydropyrido[4,3-d]pyrimidin-6-yl]phenyl]-3-(trifluoromethyl)benzamide;2-[3-methyl-4-(4-methylpiperazin-1-yl)anilino]-6-(2-methyl-5-nitrophenyl)-7,8-dihydropyrido[4,3-d]pyrimidin-5-one;2-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]guanidine?

The InChIKey is MQGGTVNVFIOMLI-RGXFRRAASA-N. The full InChI is InChI=1S/C34H34F3N7O2.C26H29N7O3.C26H31N7O.C15H17N3O4.C13H21N5.C8H8O2/c1-21-7-8-26(39-31(45)23-5-4-6-24(18-23)34(35,36)37)19-30(21)44-12-11-28-27(32(44)46)20-38-33(41-28)40-25-9-10-29(22(2)17-25)43-15-13-42(3)14-16-43;1-17-4-6-20(33(35)36)15-24(17)32-9-8-22-21(25(32)34)16-27-26(29-22)28-19-5-7-23(18(2)14-19)31-12-10-30(3)11-13-31;1-17-4-5-19(27)15-24(17)33-9-8-22-21(25(33)34)16-28-26(30-22)29-20-6-7-23(18(2)14-20)32-12-10-31(3)11-13-32;1-10-4-5-11(18(21)22)8-13(10)17-7-6-14(19)12(15(17)20)9-16(2)3;1-10-9-11(16-13(14)15)3-4-12(10)18-7-5-17(2)6-8-18;1-6-3-2-4-7(5-6)8(9)10/h4-10,17-20H,11-16H2,1-3H3,(H,39,45)(H,38,40,41);4-7,14-16H,8-13H2,1-3H3,(H,27,28,29);4-7,14-16H,8-13,27H2,1-3H3,(H,28,29,30);4-5,8-9H,6-7H2,1-3H3;3-4,9H,5-8H2,1-2H3,(H4,14,15,16);2-5H,1H3,(H,9,10)/b;;;12-9+;;.

What are the key properties of 6-(5-amino-2-methylphenyl)-2-[3-methyl-4-(4-methylpiperazin-1-yl)anilino]-7,8-dihydropyrido[4,3-d]pyrimidin-5-one;(3E)-3-(dimethylaminomethylidene)-1-(2-methyl-5-nitrophenyl)piperidine-2,4-dione;3-methylbenzoic acid;N-[4-methyl-3-[2-[3-methyl-4-(4-methylpiperazin-1-yl)anilino]-5-oxo-7,8-dihydropyrido[4,3-d]pyrimidin-6-yl]phenyl]-3-(trifluoromethyl)benzamide;2-[3-methyl-4-(4-methylpiperazin-1-yl)anilino]-6-(2-methyl-5-nitrophenyl)-7,8-dihydropyrido[4,3-d]pyrimidin-5-one;2-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]guanidine?

6-(5-amino-2-methylphenyl)-2-[3-methyl-4-(4-methylpiperazin-1-yl)anilino]-7,8-dihydropyrido[4,3-d]pyrimidin-5-one;(3E)-3-(dimethylaminomethylidene)-1-(2-methyl-5-nitrophenyl)piperidine-2,4-dione;3-methylbenzoic acid;N-[4-methyl-3-[2-[3-methyl-4-(4-methylpiperazin-1-yl)anilino]-5-oxo-7,8-dihydropyrido[4,3-d]pyrimidin-6-yl]phenyl]-3-(trifluoromethyl)benzamide;2-[3-methyl-4-(4-methylpiperazin-1-yl)anilino]-6-(2-methyl-5-nitrophenyl)-7,8-dihydropyrido[4,3-d]pyrimidin-5-one;2-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]guanidine has a molecular weight of 2261.65 g/mol, XLogP of 17.14, 21 rotatable bonds, 8 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(5-amino-2-methylphenyl)-2-[3-methyl-4-(4-methylpiperazin-1-yl)anilino]-7,8-dihydropyrido[4,3-d]pyrimidin-5-one;(3E)-3-(dimethylaminomethylidene)-1-(2-methyl-5-nitrophenyl)piperidine-2,4-dione;3-methylbenzoic acid;N-[4-methyl-3-[2-[3-methyl-4-(4-methylpiperazin-1-yl)anilino]-5-oxo-7,8-dihydropyrido[4,3-d]pyrimidin-6-yl]phenyl]-3-(trifluoromethyl)benzamide;2-[3-methyl-4-(4-methylpiperazin-1-yl)anilino]-6-(2-methyl-5-nitrophenyl)-7,8-dihydropyrido[4,3-d]pyrimidin-5-one;2-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]guanidine is sourced from PubChem (CID 159640206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).