1-tert-butyl-2-deuterio-7-methylpurin-6-one;1-tert-butyl-8-deuterio-7-methylpurin-6-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;bis(3-tert-butyl-5-methylpyrazolo[5,1-f][1,2,4]triazin-4-one);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;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

C172H220N58O18 — CID 161480582

IUPAC1-tert-butyl-2-deuterio-7-methylpurin-6-one;1-tert-butyl-8-deuterio-7-methylpurin-6-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;bis(3-tert-butyl-5-methylpyrazolo[5,1-f][1,2,4]triazin-4-one);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;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)n1cnc2ncccc2c1=O.CC(C)(C)n1ncc2ncccc2c1=O.Cc1ccnc2ncn(C(C)(C)C)c(=O)c12.Cc1cncc2ncn(C(C)(C)C)c(=O)c12.Cc1cnn2ncn(C(C)(C)C)c(=O)c12.Cc1cnn2ncn(C(C)(C)C)c(=O)c12.Cc1ncn2ncn(C(C)(C)C)c(=O)c12.Cc1noc2ncn(C(C)(C)C)c(=O)c12.Cn1cnc2c(C#N)nn(C(C)(C)C)c2c1=O.Cn1cnc2ncn(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.2C12H15N3O.C12H14N2O2.C11H13N5O.3C11H13N3O.6C10H14N4O.C10H13N3O2.C9H13N5O/c1-8-6-9(14-5)16-11-10(8)12(18)17(7-15-11)13(2,3)4;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)16-9-8(7(5-12)14-16)13-6-15(4)10(9)17;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;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;1-7-8-9(15)13(10(2,3)4)6-12-14(8)5-11-7;2*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;2*5-7H,1-4H3;4-8H,1-3H3;6H,1-4H3;3*4-7H,1-3H3;6*5-6H,1-4H3;2*5H,1-4H3/i;;;;;;;;6D;5D;;;;;;
InChIKeyWEHMUDAODUCPBC-YXNLANQQSA-N
MW3390.05 g/mol
LogP19.97
Rot. Bonds

About 1-tert-butyl-2-deuterio-7-methylpurin-6-one;1-tert-butyl-8-deuterio-7-methylpurin-6-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;bis(3-tert-butyl-5-methylpyrazolo[5,1-f][1,2,4]triazin-4-one);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;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

1-tert-butyl-2-deuterio-7-methylpurin-6-one;1-tert-butyl-8-deuterio-7-methylpurin-6-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;bis(3-tert-butyl-5-methylpyrazolo[5,1-f][1,2,4]triazin-4-one);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;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 161480582) has the molecular formula C172H220N58O18 and a molecular weight of 3390.05 g/mol. Its IUPAC name is 1-tert-butyl-2-deuterio-7-methylpurin-6-one;1-tert-butyl-8-deuterio-7-methylpurin-6-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;bis(3-tert-butyl-5-methylpyrazolo[5,1-f][1,2,4]triazin-4-one);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;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 Name1-tert-butyl-2-deuterio-7-methylpurin-6-one;1-tert-butyl-8-deuterio-7-methylpurin-6-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;bis(3-tert-butyl-5-methylpyrazolo[5,1-f][1,2,4]triazin-4-one);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;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 CID161480582
Molecular FormulaC172H220N58O18
Molecular Weight3390.05 g/mol
Exact Mass3387.82
IUPAC Name1-tert-butyl-2-deuterio-7-methylpurin-6-one;1-tert-butyl-8-deuterio-7-methylpurin-6-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;bis(3-tert-butyl-5-methylpyrazolo[5,1-f][1,2,4]triazin-4-one);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;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)n1cnc2ncccc2c1=O.CC(C)(C)n1ncc2ncccc2c1=O.Cc1ccnc2ncn(C(C)(C)C)c(=O)c12.Cc1cncc2ncn(C(C)(C)C)c(=O)c12.Cc1cnn2ncn(C(C)(C)C)c(=O)c12.Cc1cnn2ncn(C(C)(C)C)c(=O)c12.Cc1ncn2ncn(C(C)(C)C)c(=O)c12.Cc1noc2ncn(C(C)(C)C)c(=O)c12.Cn1cnc2c(C#N)nn(C(C)(C)C)c2c1=O.Cn1cnc2ncn(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.2C12H15N3O.C12H14N2O2.C11H13N5O.3C11H13N3O.6C10H14N4O.C10H13N3O2.C9H13N5O/c1-8-6-9(14-5)16-11-10(8)12(18)17(7-15-11)13(2,3)4;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)16-9-8(7(5-12)14-16)13-6-15(4)10(9)17;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;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;1-7-8-9(15)13(10(2,3)4)6-12-14(8)5-11-7;2*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;2*5-7H,1-4H3;4-8H,1-3H3;6H,1-4H3;3*4-7H,1-3H3;6*5-6H,1-4H3;2*5H,1-4H3/i;;;;;;;;6D;5D;;;;;;
InChIKeyWEHMUDAODUCPBC-YXNLANQQSA-N
XLogP19.97
TPSA852.24 Ų
H-Bond Donors
H-Bond Acceptors75
Rotatable Bonds
Heavy Atoms248
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003390.05
LogP ≤ 519.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1075

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 1-tert-butyl-2-deuterio-7-methylpurin-6-one;1-tert-butyl-8-deuterio-7-methylpurin-6-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;bis(3-tert-butyl-5-methylpyrazolo[5,1-f][1,2,4]triazin-4-one);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;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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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2-deuterio-7-methylpurin-6-one;1-tert-butyl-8-deuterio-7-methylpurin-6-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;bis(3-tert-butyl-5-methylpyrazolo[5,1-f][1,2,4]triazin-4-one);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;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 1-tert-butyl-2-deuterio-7-methylpurin-6-one;1-tert-butyl-8-deuterio-7-methylpurin-6-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;bis(3-tert-butyl-5-methylpyrazolo[5,1-f][1,2,4]triazin-4-one);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;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 161480582) is 1-tert-butyl-2-deuterio-7-methylpurin-6-one;1-tert-butyl-8-deuterio-7-methylpurin-6-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;bis(3-tert-butyl-5-methylpyrazolo[5,1-f][1,2,4]triazin-4-one);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;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 1-tert-butyl-2-deuterio-7-methylpurin-6-one;1-tert-butyl-8-deuterio-7-methylpurin-6-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;bis(3-tert-butyl-5-methylpyrazolo[5,1-f][1,2,4]triazin-4-one);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;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 1-tert-butyl-2-deuterio-7-methylpurin-6-one;1-tert-butyl-8-deuterio-7-methylpurin-6-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;bis(3-tert-butyl-5-methylpyrazolo[5,1-f][1,2,4]triazin-4-one);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;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)n1cnc2ncccc2c1=O.CC(C)(C)n1ncc2ncccc2c1=O.Cc1ccnc2ncn(C(C)(C)C)c(=O)c12.Cc1cncc2ncn(C(C)(C)C)c(=O)c12.Cc1cnn2ncn(C(C)(C)C)c(=O)c12.Cc1cnn2ncn(C(C)(C)C)c(=O)c12.Cc1ncn2ncn(C(C)(C)C)c(=O)c12.Cc1noc2ncn(C(C)(C)C)c(=O)c12.Cn1cnc2c(C#N)nn(C(C)(C)C)c2c1=O.Cn1cnc2ncn(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 1-tert-butyl-2-deuterio-7-methylpurin-6-one;1-tert-butyl-8-deuterio-7-methylpurin-6-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;bis(3-tert-butyl-5-methylpyrazolo[5,1-f][1,2,4]triazin-4-one);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;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 WEHMUDAODUCPBC-YXNLANQQSA-N. The full InChI is InChI=1S/C13H14N4O.2C12H15N3O.C12H14N2O2.C11H13N5O.3C11H13N3O.6C10H14N4O.C10H13N3O2.C9H13N5O/c1-8-6-9(14-5)16-11-10(8)12(18)17(7-15-11)13(2,3)4;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)16-9-8(7(5-12)14-16)13-6-15(4)10(9)17;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;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;1-7-8-9(15)13(10(2,3)4)6-12-14(8)5-11-7;2*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;2*5-7H,1-4H3;4-8H,1-3H3;6H,1-4H3;3*4-7H,1-3H3;6*5-6H,1-4H3;2*5H,1-4H3/i;;;;;;;;6D;5D;;;;;;.
What are the key properties of 1-tert-butyl-2-deuterio-7-methylpurin-6-one;1-tert-butyl-8-deuterio-7-methylpurin-6-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;bis(3-tert-butyl-5-methylpyrazolo[5,1-f][1,2,4]triazin-4-one);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;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?
1-tert-butyl-2-deuterio-7-methylpurin-6-one;1-tert-butyl-8-deuterio-7-methylpurin-6-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;bis(3-tert-butyl-5-methylpyrazolo[5,1-f][1,2,4]triazin-4-one);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;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 3390.05 g/mol, XLogP of 19.97, 0 rotatable bonds, 0 hydrogen bond donors, and 75 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2-deuterio-7-methylpurin-6-one;1-tert-butyl-8-deuterio-7-methylpurin-6-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;bis(3-tert-butyl-5-methylpyrazolo[5,1-f][1,2,4]triazin-4-one);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;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 161480582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).