2-amino-6-(2-methyl-5-nitrophenyl)-7,8-dihydropyrido[4,3-d]pyrimidin-5-one;6-(5-amino-2-methylphenyl)-2-[4-(4-methylpiperazine-1-carbonyl)anilino]-7,8-dihydropyrido[4,3-d]pyrimidin-5-one;(3E)-3-(dimethylaminomethylidene)-1-(2-methyl-5-nitrophenyl)piperidine-2,4-dione;guanidine;3-methylbenzoic acid;6-(2-methyl-5-nitrophenyl)-2-[4-(4-methylpiperazine-1-carbonyl)anilino]-7,8-dihydropyrido[4,3-d]pyrimidin-5-one;(4-methylphenyl)-(4-methylpiperazin-1-yl)methanone;carbonate

C104H117N27O19-2 — CID 162107713

About 2-amino-6-(2-methyl-5-nitrophenyl)-7,8-dihydropyrido[4,3-d]pyrimidin-5-one;6-(5-amino-2-methylphenyl)-2-[4-(4-methylpiperazine-1-carbonyl)anilino]-7,8-dihydropyrido[4,3-d]pyrimidin-5-one;(3E)-3-(dimethylaminomethylidene)-1-(2-methyl-5-nitrophenyl)piperidine-2,4-dione;guanidine;3-methylbenzoic acid;6-(2-methyl-5-nitrophenyl)-2-[4-(4-methylpiperazine-1-carbonyl)anilino]-7,8-dihydropyrido[4,3-d]pyrimidin-5-one;(4-methylphenyl)-(4-methylpiperazin-1-yl)methanone;carbonate

2-amino-6-(2-methyl-5-nitrophenyl)-7,8-dihydropyrido[4,3-d]pyrimidin-5-one;6-(5-amino-2-methylphenyl)-2-[4-(4-methylpiperazine-1-carbonyl)anilino]-7,8-dihydropyrido[4,3-d]pyrimidin-5-one;(3E)-3-(dimethylaminomethylidene)-1-(2-methyl-5-nitrophenyl)piperidine-2,4-dione;guanidine;3-methylbenzoic acid;6-(2-methyl-5-nitrophenyl)-2-[4-(4-methylpiperazine-1-carbonyl)anilino]-7,8-dihydropyrido[4,3-d]pyrimidin-5-one;(4-methylphenyl)-(4-methylpiperazin-1-yl)methanone;carbonate (PubChem CID 162107713) has the molecular formula C104H117N27O19-2 and a molecular weight of 2049.25 g/mol. Its IUPAC name is 2-amino-6-(2-methyl-5-nitrophenyl)-7,8-dihydropyrido[4,3-d]pyrimidin-5-one;6-(5-amino-2-methylphenyl)-2-[4-(4-methylpiperazine-1-carbonyl)anilino]-7,8-dihydropyrido[4,3-d]pyrimidin-5-one;(3E)-3-(dimethylaminomethylidene)-1-(2-methyl-5-nitrophenyl)piperidine-2,4-dione;guanidine;3-methylbenzoic acid;6-(2-methyl-5-nitrophenyl)-2-[4-(4-methylpiperazine-1-carbonyl)anilino]-7,8-dihydropyrido[4,3-d]pyrimidin-5-one;(4-methylphenyl)-(4-methylpiperazin-1-yl)methanone;carbonate.

Molecular Properties

• Compound Name: 2-amino-6-(2-methyl-5-nitrophenyl)-7,8-dihydropyrido[4,3-d]pyrimidin-5-one;6-(5-amino-2-methylphenyl)-2-[4-(4-methylpiperazine-1-carbonyl)anilino]-7,8-dihydropyrido[4,3-d]pyrimidin-5-one;(3E)-3-(dimethylaminomethylidene)-1-(2-methyl-5-nitrophenyl)piperidine-2,4-dione;guanidine;3-methylbenzoic acid;6-(2-methyl-5-nitrophenyl)-2-[4-(4-methylpiperazine-1-carbonyl)anilino]-7,8-dihydropyrido[4,3-d]pyrimidin-5-one;(4-methylphenyl)-(4-methylpiperazin-1-yl)methanone;carbonate
• PubChem CID: 162107713
• Molecular Formula: C104H117N27O19-2
• Molecular Weight: 2049.25 g/mol
• Exact Mass: 2047.90
• IUPAC Name: 2-amino-6-(2-methyl-5-nitrophenyl)-7,8-dihydropyrido[4,3-d]pyrimidin-5-one;6-(5-amino-2-methylphenyl)-2-[4-(4-methylpiperazine-1-carbonyl)anilino]-7,8-dihydropyrido[4,3-d]pyrimidin-5-one;(3E)-3-(dimethylaminomethylidene)-1-(2-methyl-5-nitrophenyl)piperidine-2,4-dione;guanidine;3-methylbenzoic acid;6-(2-methyl-5-nitrophenyl)-2-[4-(4-methylpiperazine-1-carbonyl)anilino]-7,8-dihydropyrido[4,3-d]pyrimidin-5-one;(4-methylphenyl)-(4-methylpiperazin-1-yl)methanone;carbonate
• SMILES: Cc1ccc(C(=O)N2CCN(C)CC2)cc1.Cc1ccc(N)cc1N1CCc2nc(Nc3ccc(C(=O)N4CCN(C)CC4)cc3)ncc2C1=O.Cc1ccc([N+](=O)[O-])cc1N1CCC(=O)/C(=C\N(C)C)C1=O.Cc1ccc([N+](=O)[O-])cc1N1CCc2nc(N)ncc2C1=O.Cc1ccc([N+](=O)[O-])cc1N1CCc2nc(Nc3ccc(C(=O)N4CCN(C)CC4)cc3)ncc2C1=O.Cc1cccc(C(=O)O)c1.O=C([O-])[O-].[H]N=C(N)N
• InChI: InChI=1S/C26H27N7O4.C26H29N7O2.C15H17N3O4.C14H13N5O3.C13H18N2O.C8H8O2.CH5N3.CH2O3/c1-17-3-8-20(33(36)37)15-23(17)32-10-9-22-21(25(32)35)16-27-26(29-22)28-19-6-4-18(5-7-19)24(34)31-13-11-30(2)12-14-31;1-17-3-6-19(27)15-23(17)33-10-9-22-21(25(33)35)16-28-26(30-22)29-20-7-4-18(5-8-20)24(34)32-13-11-31(2)12-14-32;1-10-4-5-11(18(21)22)8-13(10)17-7-6-14(19)12(15(17)20)9-16(2)3;1-8-2-3-9(19(21)22)6-12(8)18-5-4-11-10(13(18)20)7-16-14(15)17-11;1-11-3-5-12(6-4-11)13(16)15-9-7-14(2)8-10-15;1-6-3-2-4-7(5-6)8(9)10;2*2-1(3)4/h3-8,15-16H,9-14H2,1-2H3,(H,27,28,29);3-8,15-16H,9-14,27H2,1-2H3,(H,28,29,30);4-5,8-9H,6-7H2,1-3H3;2-3,6-7H,4-5H2,1H3,(H2,15,16,17);3-6H,7-10H2,1-2H3;2-5H,1H3,(H,9,10);(H5,2,3,4);(H2,2,3,4)/p-2/b;;12-9+
• InChIKey: ZFSPEUXSGKVRIF-SBRKRUMHSA-L
• XLogP: 8.33
• TPSA: 631.44 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 33
• Rotatable Bonds: 16
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2049.25
LogP ≤ 5	8.33
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

• Structural Alerts: {'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'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of 2-amino-6-(2-methyl-5-nitrophenyl)-7,8-dihydropyrido[4,3-d]pyrimidin-5-one;6-(5-amino-2-methylphenyl)-2-[4-(4-methylpiperazine-1-carbonyl)anilino]-7,8-dihydropyrido[4,3-d]pyrimidin-5-one;(3E)-3-(dimethylaminomethylidene)-1-(2-methyl-5-nitrophenyl)piperidine-2,4-dione;guanidine;3-methylbenzoic acid;6-(2-methyl-5-nitrophenyl)-2-[4-(4-methylpiperazine-1-carbonyl)anilino]-7,8-dihydropyrido[4,3-d]pyrimidin-5-one;(4-methylphenyl)-(4-methylpiperazin-1-yl)methanone;carbonate (CID 162107713) is 2-amino-6-(2-methyl-5-nitrophenyl)-7,8-dihydropyrido[4,3-d]pyrimidin-5-one;6-(5-amino-2-methylphenyl)-2-[4-(4-methylpiperazine-1-carbonyl)anilino]-7,8-dihydropyrido[4,3-d]pyrimidin-5-one;(3E)-3-(dimethylaminomethylidene)-1-(2-methyl-5-nitrophenyl)piperidine-2,4-dione;guanidine;3-methylbenzoic acid;6-(2-methyl-5-nitrophenyl)-2-[4-(4-methylpiperazine-1-carbonyl)anilino]-7,8-dihydropyrido[4,3-d]pyrimidin-5-one;(4-methylphenyl)-(4-methylpiperazin-1-yl)methanone;carbonate.

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

The canonical SMILES for 2-amino-6-(2-methyl-5-nitrophenyl)-7,8-dihydropyrido[4,3-d]pyrimidin-5-one;6-(5-amino-2-methylphenyl)-2-[4-(4-methylpiperazine-1-carbonyl)anilino]-7,8-dihydropyrido[4,3-d]pyrimidin-5-one;(3E)-3-(dimethylaminomethylidene)-1-(2-methyl-5-nitrophenyl)piperidine-2,4-dione;guanidine;3-methylbenzoic acid;6-(2-methyl-5-nitrophenyl)-2-[4-(4-methylpiperazine-1-carbonyl)anilino]-7,8-dihydropyrido[4,3-d]pyrimidin-5-one;(4-methylphenyl)-(4-methylpiperazin-1-yl)methanone;carbonate is Cc1ccc(C(=O)N2CCN(C)CC2)cc1.Cc1ccc(N)cc1N1CCc2nc(Nc3ccc(C(=O)N4CCN(C)CC4)cc3)ncc2C1=O.Cc1ccc([N+](=O)[O-])cc1N1CCC(=O)/C(=C\N(C)C)C1=O.Cc1ccc([N+](=O)[O-])cc1N1CCc2nc(N)ncc2C1=O.Cc1ccc([N+](=O)[O-])cc1N1CCc2nc(Nc3ccc(C(=O)N4CCN(C)CC4)cc3)ncc2C1=O.Cc1cccc(C(=O)O)c1.O=C([O-])[O-].[H]N=C(N)N.

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

The InChIKey is ZFSPEUXSGKVRIF-SBRKRUMHSA-L. The full InChI is InChI=1S/C26H27N7O4.C26H29N7O2.C15H17N3O4.C14H13N5O3.C13H18N2O.C8H8O2.CH5N3.CH2O3/c1-17-3-8-20(33(36)37)15-23(17)32-10-9-22-21(25(32)35)16-27-26(29-22)28-19-6-4-18(5-7-19)24(34)31-13-11-30(2)12-14-31;1-17-3-6-19(27)15-23(17)33-10-9-22-21(25(33)35)16-28-26(30-22)29-20-7-4-18(5-8-20)24(34)32-13-11-31(2)12-14-32;1-10-4-5-11(18(21)22)8-13(10)17-7-6-14(19)12(15(17)20)9-16(2)3;1-8-2-3-9(19(21)22)6-12(8)18-5-4-11-10(13(18)20)7-16-14(15)17-11;1-11-3-5-12(6-4-11)13(16)15-9-7-14(2)8-10-15;1-6-3-2-4-7(5-6)8(9)10;2*2-1(3)4/h3-8,15-16H,9-14H2,1-2H3,(H,27,28,29);3-8,15-16H,9-14,27H2,1-2H3,(H,28,29,30);4-5,8-9H,6-7H2,1-3H3;2-3,6-7H,4-5H2,1H3,(H2,15,16,17);3-6H,7-10H2,1-2H3;2-5H,1H3,(H,9,10);(H5,2,3,4);(H2,2,3,4)/p-2/b;;12-9+;;;;;.

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

2-amino-6-(2-methyl-5-nitrophenyl)-7,8-dihydropyrido[4,3-d]pyrimidin-5-one;6-(5-amino-2-methylphenyl)-2-[4-(4-methylpiperazine-1-carbonyl)anilino]-7,8-dihydropyrido[4,3-d]pyrimidin-5-one;(3E)-3-(dimethylaminomethylidene)-1-(2-methyl-5-nitrophenyl)piperidine-2,4-dione;guanidine;3-methylbenzoic acid;6-(2-methyl-5-nitrophenyl)-2-[4-(4-methylpiperazine-1-carbonyl)anilino]-7,8-dihydropyrido[4,3-d]pyrimidin-5-one;(4-methylphenyl)-(4-methylpiperazin-1-yl)methanone;carbonate has a molecular weight of 2049.25 g/mol, XLogP of 8.33, 16 rotatable bonds, 8 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-6-(2-methyl-5-nitrophenyl)-7,8-dihydropyrido[4,3-d]pyrimidin-5-one;6-(5-amino-2-methylphenyl)-2-[4-(4-methylpiperazine-1-carbonyl)anilino]-7,8-dihydropyrido[4,3-d]pyrimidin-5-one;(3E)-3-(dimethylaminomethylidene)-1-(2-methyl-5-nitrophenyl)piperidine-2,4-dione;guanidine;3-methylbenzoic acid;6-(2-methyl-5-nitrophenyl)-2-[4-(4-methylpiperazine-1-carbonyl)anilino]-7,8-dihydropyrido[4,3-d]pyrimidin-5-one;(4-methylphenyl)-(4-methylpiperazin-1-yl)methanone;carbonate is sourced from PubChem (CID 162107713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).