3-tert-butyl-8-chloro-5-methylpyrido[3,4-d]pyrimidin-4-one;3-tert-butyl-5-chloropyrido[2,3-d]pyrimidin-4-one;3-tert-butyl-5,7-dimethylimidazo[5,1-f][1,2,4]triazin-4-one;5-tert-butyl-1,3-dimethylpyrazolo[5,4-d]pyrimidin-4-one;3-tert-butyl-7-isocyano-5-methylpyrido[2,3-d]pyrimidin-4-one;3-tert-butyl-5-methylimidazo[5,1-f][1,2,4]triazin-4-one;5-tert-butyl-3-methyl-4-oxopyrrolo[3,2-d]pyrimidine-7-carbonitrile;7-tert-butyl-1-methylpurin-6-one;6-tert-butyl-1-methylpyrazolo[4,5-d]pyrimidin-7-one;6-tert-butyl-4-methylpyrimido[4,5-c]pyridazin-5-one;6-tert-butyl-1-methyltriazolo[4,5-d]pyrimidin-7-one;6-tert-butylpyrido[2,3-d]pyridazin-5-one

C131H168Cl2N46O12 — CID 160605216

About 3-tert-butyl-8-chloro-5-methylpyrido[3,4-d]pyrimidin-4-one;3-tert-butyl-5-chloropyrido[2,3-d]pyrimidin-4-one;3-tert-butyl-5,7-dimethylimidazo[5,1-f][1,2,4]triazin-4-one;5-tert-butyl-1,3-dimethylpyrazolo[5,4-d]pyrimidin-4-one;3-tert-butyl-7-isocyano-5-methylpyrido[2,3-d]pyrimidin-4-one;3-tert-butyl-5-methylimidazo[5,1-f][1,2,4]triazin-4-one;5-tert-butyl-3-methyl-4-oxopyrrolo[3,2-d]pyrimidine-7-carbonitrile;7-tert-butyl-1-methylpurin-6-one;6-tert-butyl-1-methylpyrazolo[4,5-d]pyrimidin-7-one;6-tert-butyl-4-methylpyrimido[4,5-c]pyridazin-5-one;6-tert-butyl-1-methyltriazolo[4,5-d]pyrimidin-7-one;6-tert-butylpyrido[2,3-d]pyridazin-5-one

3-tert-butyl-8-chloro-5-methylpyrido[3,4-d]pyrimidin-4-one;3-tert-butyl-5-chloropyrido[2,3-d]pyrimidin-4-one;3-tert-butyl-5,7-dimethylimidazo[5,1-f][1,2,4]triazin-4-one;5-tert-butyl-1,3-dimethylpyrazolo[5,4-d]pyrimidin-4-one;3-tert-butyl-7-isocyano-5-methylpyrido[2,3-d]pyrimidin-4-one;3-tert-butyl-5-methylimidazo[5,1-f][1,2,4]triazin-4-one;5-tert-butyl-3-methyl-4-oxopyrrolo[3,2-d]pyrimidine-7-carbonitrile;7-tert-butyl-1-methylpurin-6-one;6-tert-butyl-1-methylpyrazolo[4,5-d]pyrimidin-7-one;6-tert-butyl-4-methylpyrimido[4,5-c]pyridazin-5-one;6-tert-butyl-1-methyltriazolo[4,5-d]pyrimidin-7-one;6-tert-butylpyrido[2,3-d]pyridazin-5-one (PubChem CID 160605216) has the molecular formula C131H168Cl2N46O12 and a molecular weight of 2650.00 g/mol. Its IUPAC name is 3-tert-butyl-8-chloro-5-methylpyrido[3,4-d]pyrimidin-4-one;3-tert-butyl-5-chloropyrido[2,3-d]pyrimidin-4-one;3-tert-butyl-5,7-dimethylimidazo[5,1-f][1,2,4]triazin-4-one;5-tert-butyl-1,3-dimethylpyrazolo[5,4-d]pyrimidin-4-one;3-tert-butyl-7-isocyano-5-methylpyrido[2,3-d]pyrimidin-4-one;3-tert-butyl-5-methylimidazo[5,1-f][1,2,4]triazin-4-one;5-tert-butyl-3-methyl-4-oxopyrrolo[3,2-d]pyrimidine-7-carbonitrile;7-tert-butyl-1-methylpurin-6-one;6-tert-butyl-1-methylpyrazolo[4,5-d]pyrimidin-7-one;6-tert-butyl-4-methylpyrimido[4,5-c]pyridazin-5-one;6-tert-butyl-1-methyltriazolo[4,5-d]pyrimidin-7-one;6-tert-butylpyrido[2,3-d]pyridazin-5-one.

Molecular Properties

• Compound Name: 3-tert-butyl-8-chloro-5-methylpyrido[3,4-d]pyrimidin-4-one;3-tert-butyl-5-chloropyrido[2,3-d]pyrimidin-4-one;3-tert-butyl-5,7-dimethylimidazo[5,1-f][1,2,4]triazin-4-one;5-tert-butyl-1,3-dimethylpyrazolo[5,4-d]pyrimidin-4-one;3-tert-butyl-7-isocyano-5-methylpyrido[2,3-d]pyrimidin-4-one;3-tert-butyl-5-methylimidazo[5,1-f][1,2,4]triazin-4-one;5-tert-butyl-3-methyl-4-oxopyrrolo[3,2-d]pyrimidine-7-carbonitrile;7-tert-butyl-1-methylpurin-6-one;6-tert-butyl-1-methylpyrazolo[4,5-d]pyrimidin-7-one;6-tert-butyl-4-methylpyrimido[4,5-c]pyridazin-5-one;6-tert-butyl-1-methyltriazolo[4,5-d]pyrimidin-7-one;6-tert-butylpyrido[2,3-d]pyridazin-5-one
• PubChem CID: 160605216
• Molecular Formula: C131H168Cl2N46O12
• Molecular Weight: 2650.00 g/mol
• Exact Mass: 2647.33
• IUPAC Name: 3-tert-butyl-8-chloro-5-methylpyrido[3,4-d]pyrimidin-4-one;3-tert-butyl-5-chloropyrido[2,3-d]pyrimidin-4-one;3-tert-butyl-5,7-dimethylimidazo[5,1-f][1,2,4]triazin-4-one;5-tert-butyl-1,3-dimethylpyrazolo[5,4-d]pyrimidin-4-one;3-tert-butyl-7-isocyano-5-methylpyrido[2,3-d]pyrimidin-4-one;3-tert-butyl-5-methylimidazo[5,1-f][1,2,4]triazin-4-one;5-tert-butyl-3-methyl-4-oxopyrrolo[3,2-d]pyrimidine-7-carbonitrile;7-tert-butyl-1-methylpurin-6-one;6-tert-butyl-1-methylpyrazolo[4,5-d]pyrimidin-7-one;6-tert-butyl-4-methylpyrimido[4,5-c]pyridazin-5-one;6-tert-butyl-1-methyltriazolo[4,5-d]pyrimidin-7-one;6-tert-butylpyrido[2,3-d]pyridazin-5-one
• SMILES: CC(C)(C)n1cnc2nccc(Cl)c2c1=O.CC(C)(C)n1ncc2ncccc2c1=O.Cc1cnc(Cl)c2ncn(C(C)(C)C)c(=O)c12.Cc1cnnc2ncn(C(C)(C)C)c(=O)c12.Cc1nc(C)n2ncn(C(C)(C)C)c(=O)c12.Cc1ncn2ncn(C(C)(C)C)c(=O)c12.Cc1nn(C)c2ncn(C(C)(C)C)c(=O)c12.Cn1cnc2c(C#N)cn(C(C)(C)C)c2c1=O.Cn1cnc2ncn(C(C)(C)C)c2c1=O.Cn1ncc2ncn(C(C)(C)C)c(=O)c21.Cn1nnc2ncn(C(C)(C)C)c(=O)c21.[C-]#[N+]c1cc(C)c2c(=O)n(C(C)(C)C)cnc2n1
• InChI: InChI=1S/C13H14N4O.C12H14ClN3O.C12H14N4O.C11H12ClN3O.2C11H16N4O.C11H14N4O.C11H13N3O.3C10H14N4O.C9H13N5O/c1-8-6-9(14-5)16-11-10(8)12(18)17(7-15-11)13(2,3)4;1-7-5-14-10(13)9-8(7)11(17)16(6-15-9)12(2,3)4;1-12(2,3)16-6-8(5-13)9-10(16)11(17)15(4)7-14-9;1-11(2,3)15-6-14-9-8(10(15)16)7(12)4-5-13-9;1-7-8-9(14(5)13-7)12-6-15(10(8)16)11(2,3)4;1-7-9-10(16)14(11(3,4)5)6-12-15(9)8(2)13-7;1-7-5-13-14-9-8(7)10(16)15(6-12-9)11(2,3)4;1-11(2,3)14-10(15)8-5-4-6-12-9(8)7-13-14;1-10(2,3)14-6-12-8-7(14)9(15)13(4)5-11-8;1-10(2,3)14-6-11-7-5-12-13(4)8(7)9(14)15;1-7-8-9(15)13(10(2,3)4)6-12-14(8)5-11-7;1-9(2,3)14-5-10-7-6(8(14)15)13(4)12-11-7/h6-7H,1-4H3;5-6H,1-4H3;6-7H,1-4H3;4-6H,1-3H3;2*6H,1-5H3;5-6H,1-4H3;4-7H,1-3H3;3*5-6H,1-4H3;5H,1-4H3
• InChIKey: REUAKRKGXIDBIZ-UHFFFAOYSA-N
• XLogP: 16.73
• TPSA: 647.87 Ų
• H-Bond Acceptors: 57
• Heavy Atoms: 191
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2650.00
LogP ≤ 5	16.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	57

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-8-chloro-5-methylpyrido[3,4-d]pyrimidin-4-one;3-tert-butyl-5-chloropyrido[2,3-d]pyrimidin-4-one;3-tert-butyl-5,7-dimethylimidazo[5,1-f][1,2,4]triazin-4-one;5-tert-butyl-1,3-dimethylpyrazolo[5,4-d]pyrimidin-4-one;3-tert-butyl-7-isocyano-5-methylpyrido[2,3-d]pyrimidin-4-one;3-tert-butyl-5-methylimidazo[5,1-f][1,2,4]triazin-4-one;5-tert-butyl-3-methyl-4-oxopyrrolo[3,2-d]pyrimidine-7-carbonitrile;7-tert-butyl-1-methylpurin-6-one;6-tert-butyl-1-methylpyrazolo[4,5-d]pyrimidin-7-one;6-tert-butyl-4-methylpyrimido[4,5-c]pyridazin-5-one;6-tert-butyl-1-methyltriazolo[4,5-d]pyrimidin-7-one;6-tert-butylpyrido[2,3-d]pyridazin-5-one?

The IUPAC name of 3-tert-butyl-8-chloro-5-methylpyrido[3,4-d]pyrimidin-4-one;3-tert-butyl-5-chloropyrido[2,3-d]pyrimidin-4-one;3-tert-butyl-5,7-dimethylimidazo[5,1-f][1,2,4]triazin-4-one;5-tert-butyl-1,3-dimethylpyrazolo[5,4-d]pyrimidin-4-one;3-tert-butyl-7-isocyano-5-methylpyrido[2,3-d]pyrimidin-4-one;3-tert-butyl-5-methylimidazo[5,1-f][1,2,4]triazin-4-one;5-tert-butyl-3-methyl-4-oxopyrrolo[3,2-d]pyrimidine-7-carbonitrile;7-tert-butyl-1-methylpurin-6-one;6-tert-butyl-1-methylpyrazolo[4,5-d]pyrimidin-7-one;6-tert-butyl-4-methylpyrimido[4,5-c]pyridazin-5-one;6-tert-butyl-1-methyltriazolo[4,5-d]pyrimidin-7-one;6-tert-butylpyrido[2,3-d]pyridazin-5-one (CID 160605216) is 3-tert-butyl-8-chloro-5-methylpyrido[3,4-d]pyrimidin-4-one;3-tert-butyl-5-chloropyrido[2,3-d]pyrimidin-4-one;3-tert-butyl-5,7-dimethylimidazo[5,1-f][1,2,4]triazin-4-one;5-tert-butyl-1,3-dimethylpyrazolo[5,4-d]pyrimidin-4-one;3-tert-butyl-7-isocyano-5-methylpyrido[2,3-d]pyrimidin-4-one;3-tert-butyl-5-methylimidazo[5,1-f][1,2,4]triazin-4-one;5-tert-butyl-3-methyl-4-oxopyrrolo[3,2-d]pyrimidine-7-carbonitrile;7-tert-butyl-1-methylpurin-6-one;6-tert-butyl-1-methylpyrazolo[4,5-d]pyrimidin-7-one;6-tert-butyl-4-methylpyrimido[4,5-c]pyridazin-5-one;6-tert-butyl-1-methyltriazolo[4,5-d]pyrimidin-7-one;6-tert-butylpyrido[2,3-d]pyridazin-5-one.

What is the SMILES notation for 3-tert-butyl-8-chloro-5-methylpyrido[3,4-d]pyrimidin-4-one;3-tert-butyl-5-chloropyrido[2,3-d]pyrimidin-4-one;3-tert-butyl-5,7-dimethylimidazo[5,1-f][1,2,4]triazin-4-one;5-tert-butyl-1,3-dimethylpyrazolo[5,4-d]pyrimidin-4-one;3-tert-butyl-7-isocyano-5-methylpyrido[2,3-d]pyrimidin-4-one;3-tert-butyl-5-methylimidazo[5,1-f][1,2,4]triazin-4-one;5-tert-butyl-3-methyl-4-oxopyrrolo[3,2-d]pyrimidine-7-carbonitrile;7-tert-butyl-1-methylpurin-6-one;6-tert-butyl-1-methylpyrazolo[4,5-d]pyrimidin-7-one;6-tert-butyl-4-methylpyrimido[4,5-c]pyridazin-5-one;6-tert-butyl-1-methyltriazolo[4,5-d]pyrimidin-7-one;6-tert-butylpyrido[2,3-d]pyridazin-5-one?

The canonical SMILES for 3-tert-butyl-8-chloro-5-methylpyrido[3,4-d]pyrimidin-4-one;3-tert-butyl-5-chloropyrido[2,3-d]pyrimidin-4-one;3-tert-butyl-5,7-dimethylimidazo[5,1-f][1,2,4]triazin-4-one;5-tert-butyl-1,3-dimethylpyrazolo[5,4-d]pyrimidin-4-one;3-tert-butyl-7-isocyano-5-methylpyrido[2,3-d]pyrimidin-4-one;3-tert-butyl-5-methylimidazo[5,1-f][1,2,4]triazin-4-one;5-tert-butyl-3-methyl-4-oxopyrrolo[3,2-d]pyrimidine-7-carbonitrile;7-tert-butyl-1-methylpurin-6-one;6-tert-butyl-1-methylpyrazolo[4,5-d]pyrimidin-7-one;6-tert-butyl-4-methylpyrimido[4,5-c]pyridazin-5-one;6-tert-butyl-1-methyltriazolo[4,5-d]pyrimidin-7-one;6-tert-butylpyrido[2,3-d]pyridazin-5-one is CC(C)(C)n1cnc2nccc(Cl)c2c1=O.CC(C)(C)n1ncc2ncccc2c1=O.Cc1cnc(Cl)c2ncn(C(C)(C)C)c(=O)c12.Cc1cnnc2ncn(C(C)(C)C)c(=O)c12.Cc1nc(C)n2ncn(C(C)(C)C)c(=O)c12.Cc1ncn2ncn(C(C)(C)C)c(=O)c12.Cc1nn(C)c2ncn(C(C)(C)C)c(=O)c12.Cn1cnc2c(C#N)cn(C(C)(C)C)c2c1=O.Cn1cnc2ncn(C(C)(C)C)c2c1=O.Cn1ncc2ncn(C(C)(C)C)c(=O)c21.Cn1nnc2ncn(C(C)(C)C)c(=O)c21.[C-]#[N+]c1cc(C)c2c(=O)n(C(C)(C)C)cnc2n1.

What is the InChIKey of 3-tert-butyl-8-chloro-5-methylpyrido[3,4-d]pyrimidin-4-one;3-tert-butyl-5-chloropyrido[2,3-d]pyrimidin-4-one;3-tert-butyl-5,7-dimethylimidazo[5,1-f][1,2,4]triazin-4-one;5-tert-butyl-1,3-dimethylpyrazolo[5,4-d]pyrimidin-4-one;3-tert-butyl-7-isocyano-5-methylpyrido[2,3-d]pyrimidin-4-one;3-tert-butyl-5-methylimidazo[5,1-f][1,2,4]triazin-4-one;5-tert-butyl-3-methyl-4-oxopyrrolo[3,2-d]pyrimidine-7-carbonitrile;7-tert-butyl-1-methylpurin-6-one;6-tert-butyl-1-methylpyrazolo[4,5-d]pyrimidin-7-one;6-tert-butyl-4-methylpyrimido[4,5-c]pyridazin-5-one;6-tert-butyl-1-methyltriazolo[4,5-d]pyrimidin-7-one;6-tert-butylpyrido[2,3-d]pyridazin-5-one?

The InChIKey is REUAKRKGXIDBIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O.C12H14ClN3O.C12H14N4O.C11H12ClN3O.2C11H16N4O.C11H14N4O.C11H13N3O.3C10H14N4O.C9H13N5O/c1-8-6-9(14-5)16-11-10(8)12(18)17(7-15-11)13(2,3)4;1-7-5-14-10(13)9-8(7)11(17)16(6-15-9)12(2,3)4;1-12(2,3)16-6-8(5-13)9-10(16)11(17)15(4)7-14-9;1-11(2,3)15-6-14-9-8(10(15)16)7(12)4-5-13-9;1-7-8-9(14(5)13-7)12-6-15(10(8)16)11(2,3)4;1-7-9-10(16)14(11(3,4)5)6-12-15(9)8(2)13-7;1-7-5-13-14-9-8(7)10(16)15(6-12-9)11(2,3)4;1-11(2,3)14-10(15)8-5-4-6-12-9(8)7-13-14;1-10(2,3)14-6-12-8-7(14)9(15)13(4)5-11-8;1-10(2,3)14-6-11-7-5-12-13(4)8(7)9(14)15;1-7-8-9(15)13(10(2,3)4)6-12-14(8)5-11-7;1-9(2,3)14-5-10-7-6(8(14)15)13(4)12-11-7/h6-7H,1-4H3;5-6H,1-4H3;6-7H,1-4H3;4-6H,1-3H3;2*6H,1-5H3;5-6H,1-4H3;4-7H,1-3H3;3*5-6H,1-4H3;5H,1-4H3.

What are the key properties of 3-tert-butyl-8-chloro-5-methylpyrido[3,4-d]pyrimidin-4-one;3-tert-butyl-5-chloropyrido[2,3-d]pyrimidin-4-one;3-tert-butyl-5,7-dimethylimidazo[5,1-f][1,2,4]triazin-4-one;5-tert-butyl-1,3-dimethylpyrazolo[5,4-d]pyrimidin-4-one;3-tert-butyl-7-isocyano-5-methylpyrido[2,3-d]pyrimidin-4-one;3-tert-butyl-5-methylimidazo[5,1-f][1,2,4]triazin-4-one;5-tert-butyl-3-methyl-4-oxopyrrolo[3,2-d]pyrimidine-7-carbonitrile;7-tert-butyl-1-methylpurin-6-one;6-tert-butyl-1-methylpyrazolo[4,5-d]pyrimidin-7-one;6-tert-butyl-4-methylpyrimido[4,5-c]pyridazin-5-one;6-tert-butyl-1-methyltriazolo[4,5-d]pyrimidin-7-one;6-tert-butylpyrido[2,3-d]pyridazin-5-one?

3-tert-butyl-8-chloro-5-methylpyrido[3,4-d]pyrimidin-4-one;3-tert-butyl-5-chloropyrido[2,3-d]pyrimidin-4-one;3-tert-butyl-5,7-dimethylimidazo[5,1-f][1,2,4]triazin-4-one;5-tert-butyl-1,3-dimethylpyrazolo[5,4-d]pyrimidin-4-one;3-tert-butyl-7-isocyano-5-methylpyrido[2,3-d]pyrimidin-4-one;3-tert-butyl-5-methylimidazo[5,1-f][1,2,4]triazin-4-one;5-tert-butyl-3-methyl-4-oxopyrrolo[3,2-d]pyrimidine-7-carbonitrile;7-tert-butyl-1-methylpurin-6-one;6-tert-butyl-1-methylpyrazolo[4,5-d]pyrimidin-7-one;6-tert-butyl-4-methylpyrimido[4,5-c]pyridazin-5-one;6-tert-butyl-1-methyltriazolo[4,5-d]pyrimidin-7-one;6-tert-butylpyrido[2,3-d]pyridazin-5-one has a molecular weight of 2650.00 g/mol, XLogP of 16.73, 0 rotatable bonds, 0 hydrogen bond donors, and 57 hydrogen bond acceptors.

Where does this data come from?

All data for 3-tert-butyl-8-chloro-5-methylpyrido[3,4-d]pyrimidin-4-one;3-tert-butyl-5-chloropyrido[2,3-d]pyrimidin-4-one;3-tert-butyl-5,7-dimethylimidazo[5,1-f][1,2,4]triazin-4-one;5-tert-butyl-1,3-dimethylpyrazolo[5,4-d]pyrimidin-4-one;3-tert-butyl-7-isocyano-5-methylpyrido[2,3-d]pyrimidin-4-one;3-tert-butyl-5-methylimidazo[5,1-f][1,2,4]triazin-4-one;5-tert-butyl-3-methyl-4-oxopyrrolo[3,2-d]pyrimidine-7-carbonitrile;7-tert-butyl-1-methylpurin-6-one;6-tert-butyl-1-methylpyrazolo[4,5-d]pyrimidin-7-one;6-tert-butyl-4-methylpyrimido[4,5-c]pyridazin-5-one;6-tert-butyl-1-methyltriazolo[4,5-d]pyrimidin-7-one;6-tert-butylpyrido[2,3-d]pyridazin-5-one is sourced from PubChem (CID 160605216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).