7-amino-3-tert-butyl-5-methylpyrido[2,3-d]pyrimidin-4-one;3-tert-butyl-5-chloropyrido[2,3-d]pyrimidin-4-one;1-tert-butyl-2-deuterio-7-methylpurin-6-one;1-tert-butyl-8-deuterio-7-methylpurin-6-one;1-tert-butyl-4,6-dimethylpyrazolo[4,5-d]pyrimidine-5,7-dione;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-[1,2]oxazolo[5,4-d]pyrimidin-4-one;1-tert-butyl-6-methyl-7-oxopyrazolo[4,5-d]pyrimidine-3-carbonitrile;1-tert-butyl-7-methylpurin-6-one;6-tert-butyl-1-methylpyrazolo[4,5-d]pyrimidin-7-one;3-tert-butyl-5-methylpyrazolo[5,1-f][1,2,4]triazin-4-one;3-tert-butyl-5-methylpyrido[3,2-d]pyrimidine-4,6-dione;3-tert-butyl-5-methylpyrido[2,3-d]pyrimidin-4-one;3-tert-butyl-5-methylpyrido[3,4-d]pyrimidin-4-one;6-tert-butyl-1-methyltriazolo[4,5-d]pyrimidin-7-one;2-tert-butylpyrido[1,2-a]pyrazine-1,6-dione;bis(6-tert-butylpyrido[2,3-d]pyridazin-5-one);3-tert-butylpyrido[2,3-d]pyrimidin-4-one;3-tert-butylpyrido[3,4-d]pyrimidin-4-one

C240H308ClN79O26 — CID 160662092

IUPAC7-amino-3-tert-butyl-5-methylpyrido[2,3-d]pyrimidin-4-one;3-tert-butyl-5-chloropyrido[2,3-d]pyrimidin-4-one;1-tert-butyl-2-deuterio-7-methylpurin-6-one;1-tert-butyl-8-deuterio-7-methylpurin-6-one;1-tert-butyl-4,6-dimethylpyrazolo[4,5-d]pyrimidine-5,7-dione;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-[1,2]oxazolo[5,4-d]pyrimidin-4-one;1-tert-butyl-6-methyl-7-oxopyrazolo[4,5-d]pyrimidine-3-carbonitrile;1-tert-butyl-7-methylpurin-6-one;6-tert-butyl-1-methylpyrazolo[4,5-d]pyrimidin-7-one;3-tert-butyl-5-methylpyrazolo[5,1-f][1,2,4]triazin-4-one;3-tert-butyl-5-methylpyrido[3,2-d]pyrimidine-4,6-dione;3-tert-butyl-5-methylpyrido[2,3-d]pyrimidin-4-one;3-tert-butyl-5-methylpyrido[3,4-d]pyrimidin-4-one;6-tert-butyl-1-methyltriazolo[4,5-d]pyrimidin-7-one;2-tert-butylpyrido[1,2-a]pyrazine-1,6-dione;bis(6-tert-butylpyrido[2,3-d]pyridazin-5-one);3-tert-butylpyrido[2,3-d]pyrimidin-4-one;3-tert-butylpyrido[3,4-d]pyrimidin-4-one
SMILESCC(C)(C)n1ccn2c(=O)cccc2c1=O.CC(C)(C)n1cnc2cnccc2c1=O.CC(C)(C)n1cnc2nccc(Cl)c2c1=O.CC(C)(C)n1cnc2ncccc2c1=O.CC(C)(C)n1ncc2ncccc2c1=O.CC(C)(C)n1ncc2ncccc2c1=O.Cc1cc(N)nc2ncn(C(C)(C)C)c(=O)c12.Cc1ccnc2ncn(C(C)(C)C)c(=O)c12.Cc1cncc2ncn(C(C)(C)C)c(=O)c12.Cc1cnn2ncn(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.Cc1noc2ncn(C(C)(C)C)c(=O)c12.Cn1c(=O)c2c(cnn2C(C)(C)C)n(C)c1=O.Cn1c(=O)ccc2ncn(C(C)(C)C)c(=O)c21.Cn1cnc2c(C#N)nn(C(C)(C)C)c2c1=O.Cn1cnc2ncn(C(C)(C)C)c(=O)c21.Cn1ncc2ncn(C(C)(C)C)c(=O)c21.Cn1nnc2ncn(C(C)(C)C)c(=O)c21.[2H]c1nc2ncn(C(C)(C)C)c(=O)c2n1C.[2H]c1nc2ncn(C)c2c(=O)n1C(C)(C)C.[C-]#[N+]c1cc(C)c2c(=O)n(C(C)(C)C)cnc2n1
InChIInChI=1S/C13H14N4O.C12H16N4O.C12H15N3O2.2C12H15N3O.C12H14N2O2.C11H12ClN3O.C11H13N5O.C11H16N4O2.C11H16N4O.4C11H13N3O.6C10H14N4O.C10H13N3O2.C9H13N5O/c1-8-6-9(14-5)16-11-10(8)12(18)17(7-15-11)13(2,3)4;1-7-5-8(13)15-10-9(7)11(17)16(6-14-10)12(2,3)4;1-12(2,3)15-7-13-8-5-6-9(16)14(4)10(8)11(15)17;1-8-5-13-6-9-10(8)11(16)15(7-14-9)12(2,3)4;1-8-5-6-13-10-9(8)11(16)15(7-14-10)12(2,3)4;1-12(2,3)14-8-7-13-9(11(14)16)5-4-6-10(13)15;1-11(2,3)15-6-14-9-8(10(15)16)7(12)4-5-13-9;1-11(2,3)16-9-8(7(5-12)14-16)13-6-15(4)10(9)17;1-11(2,3)15-8-7(6-12-15)13(4)10(17)14(5)9(8)16;1-7-8-9(14(5)13-7)12-6-15(10(8)16)11(2,3)4;1-11(2,3)14-7-13-9-6-12-5-4-8(9)10(14)15;1-11(2,3)14-7-13-9-8(10(14)15)5-4-6-12-9;2*1-11(2,3)14-10(15)8-5-4-6-12-9(8)7-13-14;3*1-10(2,3)14-6-12-8-7(9(14)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;1-7-5-11-14-8(7)9(15)13(6-12-14)10(2,3)4;1-6-7-8(15-12-6)11-5-13(9(7)14)10(2,3)4;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,(H2,13,15);5-7H,1-4H3;2*5-7H,1-4H3;4-8H,1-3H3;4-6H,1-3H3;6H,1-4H3;6H,1-5H3;6H,1-5H3;4*4-7H,1-3H3;6*5-6H,1-4H3;2*5H,1-4H3/i;;;;;;;;;;;;;;6D;5D;;;;;;
InChIKeyRLUQTKJLTFDUIT-PEYQSYKDSA-N
MW4753.10 g/mol
LogP27.32
Rot. Bonds

About 7-amino-3-tert-butyl-5-methylpyrido[2,3-d]pyrimidin-4-one;3-tert-butyl-5-chloropyrido[2,3-d]pyrimidin-4-one;1-tert-butyl-2-deuterio-7-methylpurin-6-one;1-tert-butyl-8-deuterio-7-methylpurin-6-one;1-tert-butyl-4,6-dimethylpyrazolo[4,5-d]pyrimidine-5,7-dione;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-[1,2]oxazolo[5,4-d]pyrimidin-4-one;1-tert-butyl-6-methyl-7-oxopyrazolo[4,5-d]pyrimidine-3-carbonitrile;1-tert-butyl-7-methylpurin-6-one;6-tert-butyl-1-methylpyrazolo[4,5-d]pyrimidin-7-one;3-tert-butyl-5-methylpyrazolo[5,1-f][1,2,4]triazin-4-one;3-tert-butyl-5-methylpyrido[3,2-d]pyrimidine-4,6-dione;3-tert-butyl-5-methylpyrido[2,3-d]pyrimidin-4-one;3-tert-butyl-5-methylpyrido[3,4-d]pyrimidin-4-one;6-tert-butyl-1-methyltriazolo[4,5-d]pyrimidin-7-one;2-tert-butylpyrido[1,2-a]pyrazine-1,6-dione;bis(6-tert-butylpyrido[2,3-d]pyridazin-5-one);3-tert-butylpyrido[2,3-d]pyrimidin-4-one;3-tert-butylpyrido[3,4-d]pyrimidin-4-one

7-amino-3-tert-butyl-5-methylpyrido[2,3-d]pyrimidin-4-one;3-tert-butyl-5-chloropyrido[2,3-d]pyrimidin-4-one;1-tert-butyl-2-deuterio-7-methylpurin-6-one;1-tert-butyl-8-deuterio-7-methylpurin-6-one;1-tert-butyl-4,6-dimethylpyrazolo[4,5-d]pyrimidine-5,7-dione;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-[1,2]oxazolo[5,4-d]pyrimidin-4-one;1-tert-butyl-6-methyl-7-oxopyrazolo[4,5-d]pyrimidine-3-carbonitrile;1-tert-butyl-7-methylpurin-6-one;6-tert-butyl-1-methylpyrazolo[4,5-d]pyrimidin-7-one;3-tert-butyl-5-methylpyrazolo[5,1-f][1,2,4]triazin-4-one;3-tert-butyl-5-methylpyrido[3,2-d]pyrimidine-4,6-dione;3-tert-butyl-5-methylpyrido[2,3-d]pyrimidin-4-one;3-tert-butyl-5-methylpyrido[3,4-d]pyrimidin-4-one;6-tert-butyl-1-methyltriazolo[4,5-d]pyrimidin-7-one;2-tert-butylpyrido[1,2-a]pyrazine-1,6-dione;bis(6-tert-butylpyrido[2,3-d]pyridazin-5-one);3-tert-butylpyrido[2,3-d]pyrimidin-4-one;3-tert-butylpyrido[3,4-d]pyrimidin-4-one (PubChem CID 160662092) has the molecular formula C240H308ClN79O26 and a molecular weight of 4753.10 g/mol. Its IUPAC name is 7-amino-3-tert-butyl-5-methylpyrido[2,3-d]pyrimidin-4-one;3-tert-butyl-5-chloropyrido[2,3-d]pyrimidin-4-one;1-tert-butyl-2-deuterio-7-methylpurin-6-one;1-tert-butyl-8-deuterio-7-methylpurin-6-one;1-tert-butyl-4,6-dimethylpyrazolo[4,5-d]pyrimidine-5,7-dione;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-[1,2]oxazolo[5,4-d]pyrimidin-4-one;1-tert-butyl-6-methyl-7-oxopyrazolo[4,5-d]pyrimidine-3-carbonitrile;1-tert-butyl-7-methylpurin-6-one;6-tert-butyl-1-methylpyrazolo[4,5-d]pyrimidin-7-one;3-tert-butyl-5-methylpyrazolo[5,1-f][1,2,4]triazin-4-one;3-tert-butyl-5-methylpyrido[3,2-d]pyrimidine-4,6-dione;3-tert-butyl-5-methylpyrido[2,3-d]pyrimidin-4-one;3-tert-butyl-5-methylpyrido[3,4-d]pyrimidin-4-one;6-tert-butyl-1-methyltriazolo[4,5-d]pyrimidin-7-one;2-tert-butylpyrido[1,2-a]pyrazine-1,6-dione;bis(6-tert-butylpyrido[2,3-d]pyridazin-5-one);3-tert-butylpyrido[2,3-d]pyrimidin-4-one;3-tert-butylpyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-amino-3-tert-butyl-5-methylpyrido[2,3-d]pyrimidin-4-one;3-tert-butyl-5-chloropyrido[2,3-d]pyrimidin-4-one;1-tert-butyl-2-deuterio-7-methylpurin-6-one;1-tert-butyl-8-deuterio-7-methylpurin-6-one;1-tert-butyl-4,6-dimethylpyrazolo[4,5-d]pyrimidine-5,7-dione;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-[1,2]oxazolo[5,4-d]pyrimidin-4-one;1-tert-butyl-6-methyl-7-oxopyrazolo[4,5-d]pyrimidine-3-carbonitrile;1-tert-butyl-7-methylpurin-6-one;6-tert-butyl-1-methylpyrazolo[4,5-d]pyrimidin-7-one;3-tert-butyl-5-methylpyrazolo[5,1-f][1,2,4]triazin-4-one;3-tert-butyl-5-methylpyrido[3,2-d]pyrimidine-4,6-dione;3-tert-butyl-5-methylpyrido[2,3-d]pyrimidin-4-one;3-tert-butyl-5-methylpyrido[3,4-d]pyrimidin-4-one;6-tert-butyl-1-methyltriazolo[4,5-d]pyrimidin-7-one;2-tert-butylpyrido[1,2-a]pyrazine-1,6-dione;bis(6-tert-butylpyrido[2,3-d]pyridazin-5-one);3-tert-butylpyrido[2,3-d]pyrimidin-4-one;3-tert-butylpyrido[3,4-d]pyrimidin-4-one
PubChem CID160662092
Molecular FormulaC240H308ClN79O26
Molecular Weight4753.10 g/mol
Exact Mass4749.50
IUPAC Name7-amino-3-tert-butyl-5-methylpyrido[2,3-d]pyrimidin-4-one;3-tert-butyl-5-chloropyrido[2,3-d]pyrimidin-4-one;1-tert-butyl-2-deuterio-7-methylpurin-6-one;1-tert-butyl-8-deuterio-7-methylpurin-6-one;1-tert-butyl-4,6-dimethylpyrazolo[4,5-d]pyrimidine-5,7-dione;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-[1,2]oxazolo[5,4-d]pyrimidin-4-one;1-tert-butyl-6-methyl-7-oxopyrazolo[4,5-d]pyrimidine-3-carbonitrile;1-tert-butyl-7-methylpurin-6-one;6-tert-butyl-1-methylpyrazolo[4,5-d]pyrimidin-7-one;3-tert-butyl-5-methylpyrazolo[5,1-f][1,2,4]triazin-4-one;3-tert-butyl-5-methylpyrido[3,2-d]pyrimidine-4,6-dione;3-tert-butyl-5-methylpyrido[2,3-d]pyrimidin-4-one;3-tert-butyl-5-methylpyrido[3,4-d]pyrimidin-4-one;6-tert-butyl-1-methyltriazolo[4,5-d]pyrimidin-7-one;2-tert-butylpyrido[1,2-a]pyrazine-1,6-dione;bis(6-tert-butylpyrido[2,3-d]pyridazin-5-one);3-tert-butylpyrido[2,3-d]pyrimidin-4-one;3-tert-butylpyrido[3,4-d]pyrimidin-4-one
SMILESCC(C)(C)n1ccn2c(=O)cccc2c1=O.CC(C)(C)n1cnc2cnccc2c1=O.CC(C)(C)n1cnc2nccc(Cl)c2c1=O.CC(C)(C)n1cnc2ncccc2c1=O.CC(C)(C)n1ncc2ncccc2c1=O.CC(C)(C)n1ncc2ncccc2c1=O.Cc1cc(N)nc2ncn(C(C)(C)C)c(=O)c12.Cc1ccnc2ncn(C(C)(C)C)c(=O)c12.Cc1cncc2ncn(C(C)(C)C)c(=O)c12.Cc1cnn2ncn(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.Cc1noc2ncn(C(C)(C)C)c(=O)c12.Cn1c(=O)c2c(cnn2C(C)(C)C)n(C)c1=O.Cn1c(=O)ccc2ncn(C(C)(C)C)c(=O)c21.Cn1cnc2c(C#N)nn(C(C)(C)C)c2c1=O.Cn1cnc2ncn(C(C)(C)C)c(=O)c21.Cn1ncc2ncn(C(C)(C)C)c(=O)c21.Cn1nnc2ncn(C(C)(C)C)c(=O)c21.[2H]c1nc2ncn(C(C)(C)C)c(=O)c2n1C.[2H]c1nc2ncn(C)c2c(=O)n1C(C)(C)C.[C-]#[N+]c1cc(C)c2c(=O)n(C(C)(C)C)cnc2n1
InChIInChI=1S/C13H14N4O.C12H16N4O.C12H15N3O2.2C12H15N3O.C12H14N2O2.C11H12ClN3O.C11H13N5O.C11H16N4O2.C11H16N4O.4C11H13N3O.6C10H14N4O.C10H13N3O2.C9H13N5O/c1-8-6-9(14-5)16-11-10(8)12(18)17(7-15-11)13(2,3)4;1-7-5-8(13)15-10-9(7)11(17)16(6-14-10)12(2,3)4;1-12(2,3)15-7-13-8-5-6-9(16)14(4)10(8)11(15)17;1-8-5-13-6-9-10(8)11(16)15(7-14-9)12(2,3)4;1-8-5-6-13-10-9(8)11(16)15(7-14-10)12(2,3)4;1-12(2,3)14-8-7-13-9(11(14)16)5-4-6-10(13)15;1-11(2,3)15-6-14-9-8(10(15)16)7(12)4-5-13-9;1-11(2,3)16-9-8(7(5-12)14-16)13-6-15(4)10(9)17;1-11(2,3)15-8-7(6-12-15)13(4)10(17)14(5)9(8)16;1-7-8-9(14(5)13-7)12-6-15(10(8)16)11(2,3)4;1-11(2,3)14-7-13-9-6-12-5-4-8(9)10(14)15;1-11(2,3)14-7-13-9-8(10(14)15)5-4-6-12-9;2*1-11(2,3)14-10(15)8-5-4-6-12-9(8)7-13-14;3*1-10(2,3)14-6-12-8-7(9(14)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;1-7-5-11-14-8(7)9(15)13(6-12-14)10(2,3)4;1-6-7-8(15-12-6)11-5-13(9(7)14)10(2,3)4;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,(H2,13,15);5-7H,1-4H3;2*5-7H,1-4H3;4-8H,1-3H3;4-6H,1-3H3;6H,1-4H3;6H,1-5H3;6H,1-5H3;4*4-7H,1-3H3;6*5-6H,1-4H3;2*5H,1-4H3/i;;;;;;;;;;;;;;6D;5D;;;;;;
InChIKeyRLUQTKJLTFDUIT-PEYQSYKDSA-N
XLogP27.32
TPSA1193.54 Ų
H-Bond Donors1
H-Bond Acceptors104
Rotatable Bonds
Heavy Atoms346
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004753.10
LogP ≤ 527.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 10104

Analyze 7-amino-3-tert-butyl-5-methylpyrido[2,3-d]pyrimidin-4-one;3-tert-butyl-5-chloropyrido[2,3-d]pyrimidin-4-one;1-tert-butyl-2-deuterio-7-methylpurin-6-one;1-tert-butyl-8-deuterio-7-methylpurin-6-one;1-tert-butyl-4,6-dimethylpyrazolo[4,5-d]pyrimidine-5,7-dione;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-[1,2]oxazolo[5,4-d]pyrimidin-4-one;1-tert-butyl-6-methyl-7-oxopyrazolo[4,5-d]pyrimidine-3-carbonitrile;1-tert-butyl-7-methylpurin-6-one;6-tert-butyl-1-methylpyrazolo[4,5-d]pyrimidin-7-one;3-tert-butyl-5-methylpyrazolo[5,1-f][1,2,4]triazin-4-one;3-tert-butyl-5-methylpyrido[3,2-d]pyrimidine-4,6-dione;3-tert-butyl-5-methylpyrido[2,3-d]pyrimidin-4-one;3-tert-butyl-5-methylpyrido[3,4-d]pyrimidin-4-one;6-tert-butyl-1-methyltriazolo[4,5-d]pyrimidin-7-one;2-tert-butylpyrido[1,2-a]pyrazine-1,6-dione;bis(6-tert-butylpyrido[2,3-d]pyridazin-5-one);3-tert-butylpyrido[2,3-d]pyrimidin-4-one;3-tert-butylpyrido[3,4-d]pyrimidin-4-one with MolForge

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What is the IUPAC name of 7-amino-3-tert-butyl-5-methylpyrido[2,3-d]pyrimidin-4-one;3-tert-butyl-5-chloropyrido[2,3-d]pyrimidin-4-one;1-tert-butyl-2-deuterio-7-methylpurin-6-one;1-tert-butyl-8-deuterio-7-methylpurin-6-one;1-tert-butyl-4,6-dimethylpyrazolo[4,5-d]pyrimidine-5,7-dione;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-[1,2]oxazolo[5,4-d]pyrimidin-4-one;1-tert-butyl-6-methyl-7-oxopyrazolo[4,5-d]pyrimidine-3-carbonitrile;1-tert-butyl-7-methylpurin-6-one;6-tert-butyl-1-methylpyrazolo[4,5-d]pyrimidin-7-one;3-tert-butyl-5-methylpyrazolo[5,1-f][1,2,4]triazin-4-one;3-tert-butyl-5-methylpyrido[3,2-d]pyrimidine-4,6-dione;3-tert-butyl-5-methylpyrido[2,3-d]pyrimidin-4-one;3-tert-butyl-5-methylpyrido[3,4-d]pyrimidin-4-one;6-tert-butyl-1-methyltriazolo[4,5-d]pyrimidin-7-one;2-tert-butylpyrido[1,2-a]pyrazine-1,6-dione;bis(6-tert-butylpyrido[2,3-d]pyridazin-5-one);3-tert-butylpyrido[2,3-d]pyrimidin-4-one;3-tert-butylpyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 7-amino-3-tert-butyl-5-methylpyrido[2,3-d]pyrimidin-4-one;3-tert-butyl-5-chloropyrido[2,3-d]pyrimidin-4-one;1-tert-butyl-2-deuterio-7-methylpurin-6-one;1-tert-butyl-8-deuterio-7-methylpurin-6-one;1-tert-butyl-4,6-dimethylpyrazolo[4,5-d]pyrimidine-5,7-dione;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-[1,2]oxazolo[5,4-d]pyrimidin-4-one;1-tert-butyl-6-methyl-7-oxopyrazolo[4,5-d]pyrimidine-3-carbonitrile;1-tert-butyl-7-methylpurin-6-one;6-tert-butyl-1-methylpyrazolo[4,5-d]pyrimidin-7-one;3-tert-butyl-5-methylpyrazolo[5,1-f][1,2,4]triazin-4-one;3-tert-butyl-5-methylpyrido[3,2-d]pyrimidine-4,6-dione;3-tert-butyl-5-methylpyrido[2,3-d]pyrimidin-4-one;3-tert-butyl-5-methylpyrido[3,4-d]pyrimidin-4-one;6-tert-butyl-1-methyltriazolo[4,5-d]pyrimidin-7-one;2-tert-butylpyrido[1,2-a]pyrazine-1,6-dione;bis(6-tert-butylpyrido[2,3-d]pyridazin-5-one);3-tert-butylpyrido[2,3-d]pyrimidin-4-one;3-tert-butylpyrido[3,4-d]pyrimidin-4-one (CID 160662092) is 7-amino-3-tert-butyl-5-methylpyrido[2,3-d]pyrimidin-4-one;3-tert-butyl-5-chloropyrido[2,3-d]pyrimidin-4-one;1-tert-butyl-2-deuterio-7-methylpurin-6-one;1-tert-butyl-8-deuterio-7-methylpurin-6-one;1-tert-butyl-4,6-dimethylpyrazolo[4,5-d]pyrimidine-5,7-dione;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-[1,2]oxazolo[5,4-d]pyrimidin-4-one;1-tert-butyl-6-methyl-7-oxopyrazolo[4,5-d]pyrimidine-3-carbonitrile;1-tert-butyl-7-methylpurin-6-one;6-tert-butyl-1-methylpyrazolo[4,5-d]pyrimidin-7-one;3-tert-butyl-5-methylpyrazolo[5,1-f][1,2,4]triazin-4-one;3-tert-butyl-5-methylpyrido[3,2-d]pyrimidine-4,6-dione;3-tert-butyl-5-methylpyrido[2,3-d]pyrimidin-4-one;3-tert-butyl-5-methylpyrido[3,4-d]pyrimidin-4-one;6-tert-butyl-1-methyltriazolo[4,5-d]pyrimidin-7-one;2-tert-butylpyrido[1,2-a]pyrazine-1,6-dione;bis(6-tert-butylpyrido[2,3-d]pyridazin-5-one);3-tert-butylpyrido[2,3-d]pyrimidin-4-one;3-tert-butylpyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 7-amino-3-tert-butyl-5-methylpyrido[2,3-d]pyrimidin-4-one;3-tert-butyl-5-chloropyrido[2,3-d]pyrimidin-4-one;1-tert-butyl-2-deuterio-7-methylpurin-6-one;1-tert-butyl-8-deuterio-7-methylpurin-6-one;1-tert-butyl-4,6-dimethylpyrazolo[4,5-d]pyrimidine-5,7-dione;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-[1,2]oxazolo[5,4-d]pyrimidin-4-one;1-tert-butyl-6-methyl-7-oxopyrazolo[4,5-d]pyrimidine-3-carbonitrile;1-tert-butyl-7-methylpurin-6-one;6-tert-butyl-1-methylpyrazolo[4,5-d]pyrimidin-7-one;3-tert-butyl-5-methylpyrazolo[5,1-f][1,2,4]triazin-4-one;3-tert-butyl-5-methylpyrido[3,2-d]pyrimidine-4,6-dione;3-tert-butyl-5-methylpyrido[2,3-d]pyrimidin-4-one;3-tert-butyl-5-methylpyrido[3,4-d]pyrimidin-4-one;6-tert-butyl-1-methyltriazolo[4,5-d]pyrimidin-7-one;2-tert-butylpyrido[1,2-a]pyrazine-1,6-dione;bis(6-tert-butylpyrido[2,3-d]pyridazin-5-one);3-tert-butylpyrido[2,3-d]pyrimidin-4-one;3-tert-butylpyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 7-amino-3-tert-butyl-5-methylpyrido[2,3-d]pyrimidin-4-one;3-tert-butyl-5-chloropyrido[2,3-d]pyrimidin-4-one;1-tert-butyl-2-deuterio-7-methylpurin-6-one;1-tert-butyl-8-deuterio-7-methylpurin-6-one;1-tert-butyl-4,6-dimethylpyrazolo[4,5-d]pyrimidine-5,7-dione;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-[1,2]oxazolo[5,4-d]pyrimidin-4-one;1-tert-butyl-6-methyl-7-oxopyrazolo[4,5-d]pyrimidine-3-carbonitrile;1-tert-butyl-7-methylpurin-6-one;6-tert-butyl-1-methylpyrazolo[4,5-d]pyrimidin-7-one;3-tert-butyl-5-methylpyrazolo[5,1-f][1,2,4]triazin-4-one;3-tert-butyl-5-methylpyrido[3,2-d]pyrimidine-4,6-dione;3-tert-butyl-5-methylpyrido[2,3-d]pyrimidin-4-one;3-tert-butyl-5-methylpyrido[3,4-d]pyrimidin-4-one;6-tert-butyl-1-methyltriazolo[4,5-d]pyrimidin-7-one;2-tert-butylpyrido[1,2-a]pyrazine-1,6-dione;bis(6-tert-butylpyrido[2,3-d]pyridazin-5-one);3-tert-butylpyrido[2,3-d]pyrimidin-4-one;3-tert-butylpyrido[3,4-d]pyrimidin-4-one is CC(C)(C)n1ccn2c(=O)cccc2c1=O.CC(C)(C)n1cnc2cnccc2c1=O.CC(C)(C)n1cnc2nccc(Cl)c2c1=O.CC(C)(C)n1cnc2ncccc2c1=O.CC(C)(C)n1ncc2ncccc2c1=O.CC(C)(C)n1ncc2ncccc2c1=O.Cc1cc(N)nc2ncn(C(C)(C)C)c(=O)c12.Cc1ccnc2ncn(C(C)(C)C)c(=O)c12.Cc1cncc2ncn(C(C)(C)C)c(=O)c12.Cc1cnn2ncn(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.Cc1noc2ncn(C(C)(C)C)c(=O)c12.Cn1c(=O)c2c(cnn2C(C)(C)C)n(C)c1=O.Cn1c(=O)ccc2ncn(C(C)(C)C)c(=O)c21.Cn1cnc2c(C#N)nn(C(C)(C)C)c2c1=O.Cn1cnc2ncn(C(C)(C)C)c(=O)c21.Cn1ncc2ncn(C(C)(C)C)c(=O)c21.Cn1nnc2ncn(C(C)(C)C)c(=O)c21.[2H]c1nc2ncn(C(C)(C)C)c(=O)c2n1C.[2H]c1nc2ncn(C)c2c(=O)n1C(C)(C)C.[C-]#[N+]c1cc(C)c2c(=O)n(C(C)(C)C)cnc2n1.
What is the InChIKey of 7-amino-3-tert-butyl-5-methylpyrido[2,3-d]pyrimidin-4-one;3-tert-butyl-5-chloropyrido[2,3-d]pyrimidin-4-one;1-tert-butyl-2-deuterio-7-methylpurin-6-one;1-tert-butyl-8-deuterio-7-methylpurin-6-one;1-tert-butyl-4,6-dimethylpyrazolo[4,5-d]pyrimidine-5,7-dione;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-[1,2]oxazolo[5,4-d]pyrimidin-4-one;1-tert-butyl-6-methyl-7-oxopyrazolo[4,5-d]pyrimidine-3-carbonitrile;1-tert-butyl-7-methylpurin-6-one;6-tert-butyl-1-methylpyrazolo[4,5-d]pyrimidin-7-one;3-tert-butyl-5-methylpyrazolo[5,1-f][1,2,4]triazin-4-one;3-tert-butyl-5-methylpyrido[3,2-d]pyrimidine-4,6-dione;3-tert-butyl-5-methylpyrido[2,3-d]pyrimidin-4-one;3-tert-butyl-5-methylpyrido[3,4-d]pyrimidin-4-one;6-tert-butyl-1-methyltriazolo[4,5-d]pyrimidin-7-one;2-tert-butylpyrido[1,2-a]pyrazine-1,6-dione;bis(6-tert-butylpyrido[2,3-d]pyridazin-5-one);3-tert-butylpyrido[2,3-d]pyrimidin-4-one;3-tert-butylpyrido[3,4-d]pyrimidin-4-one?
The InChIKey is RLUQTKJLTFDUIT-PEYQSYKDSA-N. The full InChI is InChI=1S/C13H14N4O.C12H16N4O.C12H15N3O2.2C12H15N3O.C12H14N2O2.C11H12ClN3O.C11H13N5O.C11H16N4O2.C11H16N4O.4C11H13N3O.6C10H14N4O.C10H13N3O2.C9H13N5O/c1-8-6-9(14-5)16-11-10(8)12(18)17(7-15-11)13(2,3)4;1-7-5-8(13)15-10-9(7)11(17)16(6-14-10)12(2,3)4;1-12(2,3)15-7-13-8-5-6-9(16)14(4)10(8)11(15)17;1-8-5-13-6-9-10(8)11(16)15(7-14-9)12(2,3)4;1-8-5-6-13-10-9(8)11(16)15(7-14-10)12(2,3)4;1-12(2,3)14-8-7-13-9(11(14)16)5-4-6-10(13)15;1-11(2,3)15-6-14-9-8(10(15)16)7(12)4-5-13-9;1-11(2,3)16-9-8(7(5-12)14-16)13-6-15(4)10(9)17;1-11(2,3)15-8-7(6-12-15)13(4)10(17)14(5)9(8)16;1-7-8-9(14(5)13-7)12-6-15(10(8)16)11(2,3)4;1-11(2,3)14-7-13-9-6-12-5-4-8(9)10(14)15;1-11(2,3)14-7-13-9-8(10(14)15)5-4-6-12-9;2*1-11(2,3)14-10(15)8-5-4-6-12-9(8)7-13-14;3*1-10(2,3)14-6-12-8-7(9(14)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;1-7-5-11-14-8(7)9(15)13(6-12-14)10(2,3)4;1-6-7-8(15-12-6)11-5-13(9(7)14)10(2,3)4;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,(H2,13,15);5-7H,1-4H3;2*5-7H,1-4H3;4-8H,1-3H3;4-6H,1-3H3;6H,1-4H3;6H,1-5H3;6H,1-5H3;4*4-7H,1-3H3;6*5-6H,1-4H3;2*5H,1-4H3/i;;;;;;;;;;;;;;6D;5D;;;;;;.
What are the key properties of 7-amino-3-tert-butyl-5-methylpyrido[2,3-d]pyrimidin-4-one;3-tert-butyl-5-chloropyrido[2,3-d]pyrimidin-4-one;1-tert-butyl-2-deuterio-7-methylpurin-6-one;1-tert-butyl-8-deuterio-7-methylpurin-6-one;1-tert-butyl-4,6-dimethylpyrazolo[4,5-d]pyrimidine-5,7-dione;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-[1,2]oxazolo[5,4-d]pyrimidin-4-one;1-tert-butyl-6-methyl-7-oxopyrazolo[4,5-d]pyrimidine-3-carbonitrile;1-tert-butyl-7-methylpurin-6-one;6-tert-butyl-1-methylpyrazolo[4,5-d]pyrimidin-7-one;3-tert-butyl-5-methylpyrazolo[5,1-f][1,2,4]triazin-4-one;3-tert-butyl-5-methylpyrido[3,2-d]pyrimidine-4,6-dione;3-tert-butyl-5-methylpyrido[2,3-d]pyrimidin-4-one;3-tert-butyl-5-methylpyrido[3,4-d]pyrimidin-4-one;6-tert-butyl-1-methyltriazolo[4,5-d]pyrimidin-7-one;2-tert-butylpyrido[1,2-a]pyrazine-1,6-dione;bis(6-tert-butylpyrido[2,3-d]pyridazin-5-one);3-tert-butylpyrido[2,3-d]pyrimidin-4-one;3-tert-butylpyrido[3,4-d]pyrimidin-4-one?
7-amino-3-tert-butyl-5-methylpyrido[2,3-d]pyrimidin-4-one;3-tert-butyl-5-chloropyrido[2,3-d]pyrimidin-4-one;1-tert-butyl-2-deuterio-7-methylpurin-6-one;1-tert-butyl-8-deuterio-7-methylpurin-6-one;1-tert-butyl-4,6-dimethylpyrazolo[4,5-d]pyrimidine-5,7-dione;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-[1,2]oxazolo[5,4-d]pyrimidin-4-one;1-tert-butyl-6-methyl-7-oxopyrazolo[4,5-d]pyrimidine-3-carbonitrile;1-tert-butyl-7-methylpurin-6-one;6-tert-butyl-1-methylpyrazolo[4,5-d]pyrimidin-7-one;3-tert-butyl-5-methylpyrazolo[5,1-f][1,2,4]triazin-4-one;3-tert-butyl-5-methylpyrido[3,2-d]pyrimidine-4,6-dione;3-tert-butyl-5-methylpyrido[2,3-d]pyrimidin-4-one;3-tert-butyl-5-methylpyrido[3,4-d]pyrimidin-4-one;6-tert-butyl-1-methyltriazolo[4,5-d]pyrimidin-7-one;2-tert-butylpyrido[1,2-a]pyrazine-1,6-dione;bis(6-tert-butylpyrido[2,3-d]pyridazin-5-one);3-tert-butylpyrido[2,3-d]pyrimidin-4-one;3-tert-butylpyrido[3,4-d]pyrimidin-4-one has a molecular weight of 4753.10 g/mol, XLogP of 27.32, 0 rotatable bonds, 1 hydrogen bond donors, and 104 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-3-tert-butyl-5-methylpyrido[2,3-d]pyrimidin-4-one;3-tert-butyl-5-chloropyrido[2,3-d]pyrimidin-4-one;1-tert-butyl-2-deuterio-7-methylpurin-6-one;1-tert-butyl-8-deuterio-7-methylpurin-6-one;1-tert-butyl-4,6-dimethylpyrazolo[4,5-d]pyrimidine-5,7-dione;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-[1,2]oxazolo[5,4-d]pyrimidin-4-one;1-tert-butyl-6-methyl-7-oxopyrazolo[4,5-d]pyrimidine-3-carbonitrile;1-tert-butyl-7-methylpurin-6-one;6-tert-butyl-1-methylpyrazolo[4,5-d]pyrimidin-7-one;3-tert-butyl-5-methylpyrazolo[5,1-f][1,2,4]triazin-4-one;3-tert-butyl-5-methylpyrido[3,2-d]pyrimidine-4,6-dione;3-tert-butyl-5-methylpyrido[2,3-d]pyrimidin-4-one;3-tert-butyl-5-methylpyrido[3,4-d]pyrimidin-4-one;6-tert-butyl-1-methyltriazolo[4,5-d]pyrimidin-7-one;2-tert-butylpyrido[1,2-a]pyrazine-1,6-dione;bis(6-tert-butylpyrido[2,3-d]pyridazin-5-one);3-tert-butylpyrido[2,3-d]pyrimidin-4-one;3-tert-butylpyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 160662092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).