8-amino-1-tert-butyl-2,7-dimethylpurin-6-one;8-amino-7-tert-butyl-1-methylpurin-6-one;2-amino-1-tert-butyl-5-methylpyrido[2,3-d]pyrimidin-4-one;2-amino-3-tert-butyl-5-methylpyrido[2,3-d]pyrimidin-4-one;2-amino-1-tert-butylpyrido[2,3-d]pyrimidin-4-one;2-amino-3-tert-butylpyrido[2,3-d]pyrimidin-4-one;2-amino-6-tert-butyl-[1,3]thiazolo[4,5-d]pyrimidin-7-one;5-amino-6-tert-butyl-[1,3]thiazolo[4,5-d]pyrimidin-7-one;2-amino-3-tert-butyl-7-(trifluoromethyl)imidazo[5,1-f][1,2,4]triazin-4-one;1-tert-butyl-8-chloro-2,7-dimethylpurin-6-one;1-tert-butyl-2-chloro-7-methylpurin-6-one;5-tert-butyl-3-methyl-7,7a-dihydro-3aH-imidazo[4,5-c]pyridine-4,6-dione;6-tert-butyl-1-methyl-[1,3]oxazolo[5,4-d]pyrimidine-2,7-dione;5-tert-butyl-3-methyl-4-oxoimidazo[4,5-d]pyridazine-7-carboxamide;1-tert-butyl-2-methylpyrido[2,3-d]pyrimidin-4-one;3-tert-butyl-5-methyl-7H-pyrrolo[3,4-d]pyrimidin-4-one;5-tert-butyl-3-methyltriazolo[4,5-d]pyridazin-4-one;3-tert-butyl-4-oxopyrazolo[5,1-f][1,2,4]triazine-5-carbonitrile;1-tert-butyl-2,7,8-trimethylpurin-6-one

C202H273Cl2F3N78O23S2 — CID 160898399

IUPAC8-amino-1-tert-butyl-2,7-dimethylpurin-6-one;8-amino-7-tert-butyl-1-methylpurin-6-one;2-amino-1-tert-butyl-5-methylpyrido[2,3-d]pyrimidin-4-one;2-amino-3-tert-butyl-5-methylpyrido[2,3-d]pyrimidin-4-one;2-amino-1-tert-butylpyrido[2,3-d]pyrimidin-4-one;2-amino-3-tert-butylpyrido[2,3-d]pyrimidin-4-one;2-amino-6-tert-butyl-[1,3]thiazolo[4,5-d]pyrimidin-7-one;5-amino-6-tert-butyl-[1,3]thiazolo[4,5-d]pyrimidin-7-one;2-amino-3-tert-butyl-7-(trifluoromethyl)imidazo[5,1-f][1,2,4]triazin-4-one;1-tert-butyl-8-chloro-2,7-dimethylpurin-6-one;1-tert-butyl-2-chloro-7-methylpurin-6-one;5-tert-butyl-3-methyl-7,7a-dihydro-3aH-imidazo[4,5-c]pyridine-4,6-dione;6-tert-butyl-1-methyl-[1,3]oxazolo[5,4-d]pyrimidine-2,7-dione;5-tert-butyl-3-methyl-4-oxoimidazo[4,5-d]pyridazine-7-carboxamide;1-tert-butyl-2-methylpyrido[2,3-d]pyrimidin-4-one;3-tert-butyl-5-methyl-7H-pyrrolo[3,4-d]pyrimidin-4-one;5-tert-butyl-3-methyltriazolo[4,5-d]pyridazin-4-one;3-tert-butyl-4-oxopyrazolo[5,1-f][1,2,4]triazine-5-carbonitrile;1-tert-butyl-2,7,8-trimethylpurin-6-one
SMILESCC(C)(C)n1c(N)nc(=O)c2cccnc21.CC(C)(C)n1c(N)nc2ncccc2c1=O.CC(C)(C)n1c(N)nc2ncsc2c1=O.CC(C)(C)n1c(N)nn2c(C(F)(F)F)ncc2c1=O.CC(C)(C)n1cnc2nc(N)sc2c1=O.CC(C)(C)n1cnn2ncc(C#N)c2c1=O.CC1=NCc2ncn(C(C)(C)C)c(=O)c21.CN1C=NC2CC(=O)N(C(C)(C)C)C(=O)C21.Cc1ccnc2c1c(=O)nc(N)n2C(C)(C)C.Cc1ccnc2nc(N)n(C(C)(C)C)c(=O)c12.Cc1nc(=O)c2cccnc2n1C(C)(C)C.Cc1nc2nc(C)n(C)c2c(=O)n1C(C)(C)C.Cc1nc2nc(Cl)n(C)c2c(=O)n1C(C)(C)C.Cc1nc2nc(N)n(C)c2c(=O)n1C(C)(C)C.Cn1c(=O)oc2ncn(C(C)(C)C)c(=O)c21.Cn1cnc2c(C(N)=O)nn(C(C)(C)C)c(=O)c21.Cn1cnc2nc(Cl)n(C(C)(C)C)c(=O)c21.Cn1cnc2nc(N)n(C(C)(C)C)c2c1=O.Cn1nnc2cnn(C(C)(C)C)c(=O)c21
InChIInChI=1S/C12H18N4O.2C12H16N4O.C12H15N3O.C11H15ClN4O.C11H15N5O2.C11H17N5O.2C11H14N4O.C11H17N3O2.C11H15N3O.C10H13ClN4O.C10H12F3N5O.C10H15N5O.C10H11N5O.C10H13N3O3.C9H13N5O.2C9H12N4OS/c1-7-13-10-9(15(7)6)11(17)16(8(2)14-10)12(3,4)5;1-7-5-6-14-9-8(7)10(17)15-11(13)16(9)12(2,3)4;1-7-5-6-14-9-8(7)10(17)16(11(13)15-9)12(2,3)4;1-8-14-11(16)9-6-5-7-13-10(9)15(8)12(2,3)4;1-6-13-8-7(15(5)10(12)14-8)9(17)16(6)11(2,3)4;1-11(2,3)16-10(18)8-6(13-5-15(8)4)7(14-16)9(12)17;1-6-13-8-7(15(5)10(12)14-8)9(17)16(6)11(2,3)4;1-11(2,3)15-8-7(5-4-6-13-8)9(16)14-10(15)12;1-11(2,3)15-9(16)7-5-4-6-13-8(7)14-10(15)12;1-11(2,3)14-8(15)5-7-9(10(14)16)13(4)6-12-7;1-7-9-8(5-12-7)13-6-14(10(9)15)11(2,3)4;1-10(2,3)15-8(16)6-7(13-9(15)11)12-5-14(6)4;1-9(2,3)17-6(19)5-4-15-7(10(11,12)13)18(5)16-8(17)14;1-10(2,3)15-6-7(13-9(15)11)12-5-14(4)8(6)16;1-10(2,3)14-6-13-15-8(9(14)16)7(4-11)5-12-15;1-10(2,3)13-5-11-7-6(8(13)14)12(4)9(15)16-7;1-9(2,3)14-8(15)7-6(5-10-14)11-12-13(7)4;1-9(2,3)13-7(14)5-6(11-4-15-5)12-8(13)10;1-9(2,3)13-4-11-6-5(7(13)14)15-8(10)12-6/h1-6H3;5-6H,1-4H3,(H2,13,15,17);5-6H,1-4H3,(H2,13,14,15);5-7H,1-4H3;1-5H3;5H,1-4H3,(H2,12,17);1-5H3,(H2,12,14);4-6H,1-3H3,(H2,12,14,16);4-6H,1-3H3,(H2,12,13,14);6-7,9H,5H2,1-4H3;6H,5H2,1-4H3;5H,1-4H3;4H,1-3H3,(H2,14,16);5H,1-4H3,(H2,11,13);5-6H,1-3H3;5H,1-4H3;5H,1-4H3;2*4H,1-3H3,(H2,10,12)
InChIKeySPEHVMYBFXEWRG-UHFFFAOYSA-N
MW4353.96 g/mol
LogP19.54
Rot. Bonds1

About 8-amino-1-tert-butyl-2,7-dimethylpurin-6-one;8-amino-7-tert-butyl-1-methylpurin-6-one;2-amino-1-tert-butyl-5-methylpyrido[2,3-d]pyrimidin-4-one;2-amino-3-tert-butyl-5-methylpyrido[2,3-d]pyrimidin-4-one;2-amino-1-tert-butylpyrido[2,3-d]pyrimidin-4-one;2-amino-3-tert-butylpyrido[2,3-d]pyrimidin-4-one;2-amino-6-tert-butyl-[1,3]thiazolo[4,5-d]pyrimidin-7-one;5-amino-6-tert-butyl-[1,3]thiazolo[4,5-d]pyrimidin-7-one;2-amino-3-tert-butyl-7-(trifluoromethyl)imidazo[5,1-f][1,2,4]triazin-4-one;1-tert-butyl-8-chloro-2,7-dimethylpurin-6-one;1-tert-butyl-2-chloro-7-methylpurin-6-one;5-tert-butyl-3-methyl-7,7a-dihydro-3aH-imidazo[4,5-c]pyridine-4,6-dione;6-tert-butyl-1-methyl-[1,3]oxazolo[5,4-d]pyrimidine-2,7-dione;5-tert-butyl-3-methyl-4-oxoimidazo[4,5-d]pyridazine-7-carboxamide;1-tert-butyl-2-methylpyrido[2,3-d]pyrimidin-4-one;3-tert-butyl-5-methyl-7H-pyrrolo[3,4-d]pyrimidin-4-one;5-tert-butyl-3-methyltriazolo[4,5-d]pyridazin-4-one;3-tert-butyl-4-oxopyrazolo[5,1-f][1,2,4]triazine-5-carbonitrile;1-tert-butyl-2,7,8-trimethylpurin-6-one

8-amino-1-tert-butyl-2,7-dimethylpurin-6-one;8-amino-7-tert-butyl-1-methylpurin-6-one;2-amino-1-tert-butyl-5-methylpyrido[2,3-d]pyrimidin-4-one;2-amino-3-tert-butyl-5-methylpyrido[2,3-d]pyrimidin-4-one;2-amino-1-tert-butylpyrido[2,3-d]pyrimidin-4-one;2-amino-3-tert-butylpyrido[2,3-d]pyrimidin-4-one;2-amino-6-tert-butyl-[1,3]thiazolo[4,5-d]pyrimidin-7-one;5-amino-6-tert-butyl-[1,3]thiazolo[4,5-d]pyrimidin-7-one;2-amino-3-tert-butyl-7-(trifluoromethyl)imidazo[5,1-f][1,2,4]triazin-4-one;1-tert-butyl-8-chloro-2,7-dimethylpurin-6-one;1-tert-butyl-2-chloro-7-methylpurin-6-one;5-tert-butyl-3-methyl-7,7a-dihydro-3aH-imidazo[4,5-c]pyridine-4,6-dione;6-tert-butyl-1-methyl-[1,3]oxazolo[5,4-d]pyrimidine-2,7-dione;5-tert-butyl-3-methyl-4-oxoimidazo[4,5-d]pyridazine-7-carboxamide;1-tert-butyl-2-methylpyrido[2,3-d]pyrimidin-4-one;3-tert-butyl-5-methyl-7H-pyrrolo[3,4-d]pyrimidin-4-one;5-tert-butyl-3-methyltriazolo[4,5-d]pyridazin-4-one;3-tert-butyl-4-oxopyrazolo[5,1-f][1,2,4]triazine-5-carbonitrile;1-tert-butyl-2,7,8-trimethylpurin-6-one (PubChem CID 160898399) has the molecular formula C202H273Cl2F3N78O23S2 and a molecular weight of 4353.96 g/mol. Its IUPAC name is 8-amino-1-tert-butyl-2,7-dimethylpurin-6-one;8-amino-7-tert-butyl-1-methylpurin-6-one;2-amino-1-tert-butyl-5-methylpyrido[2,3-d]pyrimidin-4-one;2-amino-3-tert-butyl-5-methylpyrido[2,3-d]pyrimidin-4-one;2-amino-1-tert-butylpyrido[2,3-d]pyrimidin-4-one;2-amino-3-tert-butylpyrido[2,3-d]pyrimidin-4-one;2-amino-6-tert-butyl-[1,3]thiazolo[4,5-d]pyrimidin-7-one;5-amino-6-tert-butyl-[1,3]thiazolo[4,5-d]pyrimidin-7-one;2-amino-3-tert-butyl-7-(trifluoromethyl)imidazo[5,1-f][1,2,4]triazin-4-one;1-tert-butyl-8-chloro-2,7-dimethylpurin-6-one;1-tert-butyl-2-chloro-7-methylpurin-6-one;5-tert-butyl-3-methyl-7,7a-dihydro-3aH-imidazo[4,5-c]pyridine-4,6-dione;6-tert-butyl-1-methyl-[1,3]oxazolo[5,4-d]pyrimidine-2,7-dione;5-tert-butyl-3-methyl-4-oxoimidazo[4,5-d]pyridazine-7-carboxamide;1-tert-butyl-2-methylpyrido[2,3-d]pyrimidin-4-one;3-tert-butyl-5-methyl-7H-pyrrolo[3,4-d]pyrimidin-4-one;5-tert-butyl-3-methyltriazolo[4,5-d]pyridazin-4-one;3-tert-butyl-4-oxopyrazolo[5,1-f][1,2,4]triazine-5-carbonitrile;1-tert-butyl-2,7,8-trimethylpurin-6-one.

Molecular Properties

Compound Name8-amino-1-tert-butyl-2,7-dimethylpurin-6-one;8-amino-7-tert-butyl-1-methylpurin-6-one;2-amino-1-tert-butyl-5-methylpyrido[2,3-d]pyrimidin-4-one;2-amino-3-tert-butyl-5-methylpyrido[2,3-d]pyrimidin-4-one;2-amino-1-tert-butylpyrido[2,3-d]pyrimidin-4-one;2-amino-3-tert-butylpyrido[2,3-d]pyrimidin-4-one;2-amino-6-tert-butyl-[1,3]thiazolo[4,5-d]pyrimidin-7-one;5-amino-6-tert-butyl-[1,3]thiazolo[4,5-d]pyrimidin-7-one;2-amino-3-tert-butyl-7-(trifluoromethyl)imidazo[5,1-f][1,2,4]triazin-4-one;1-tert-butyl-8-chloro-2,7-dimethylpurin-6-one;1-tert-butyl-2-chloro-7-methylpurin-6-one;5-tert-butyl-3-methyl-7,7a-dihydro-3aH-imidazo[4,5-c]pyridine-4,6-dione;6-tert-butyl-1-methyl-[1,3]oxazolo[5,4-d]pyrimidine-2,7-dione;5-tert-butyl-3-methyl-4-oxoimidazo[4,5-d]pyridazine-7-carboxamide;1-tert-butyl-2-methylpyrido[2,3-d]pyrimidin-4-one;3-tert-butyl-5-methyl-7H-pyrrolo[3,4-d]pyrimidin-4-one;5-tert-butyl-3-methyltriazolo[4,5-d]pyridazin-4-one;3-tert-butyl-4-oxopyrazolo[5,1-f][1,2,4]triazine-5-carbonitrile;1-tert-butyl-2,7,8-trimethylpurin-6-one
PubChem CID160898399
Molecular FormulaC202H273Cl2F3N78O23S2
Molecular Weight4353.96 g/mol
Exact Mass4350.14
IUPAC Name8-amino-1-tert-butyl-2,7-dimethylpurin-6-one;8-amino-7-tert-butyl-1-methylpurin-6-one;2-amino-1-tert-butyl-5-methylpyrido[2,3-d]pyrimidin-4-one;2-amino-3-tert-butyl-5-methylpyrido[2,3-d]pyrimidin-4-one;2-amino-1-tert-butylpyrido[2,3-d]pyrimidin-4-one;2-amino-3-tert-butylpyrido[2,3-d]pyrimidin-4-one;2-amino-6-tert-butyl-[1,3]thiazolo[4,5-d]pyrimidin-7-one;5-amino-6-tert-butyl-[1,3]thiazolo[4,5-d]pyrimidin-7-one;2-amino-3-tert-butyl-7-(trifluoromethyl)imidazo[5,1-f][1,2,4]triazin-4-one;1-tert-butyl-8-chloro-2,7-dimethylpurin-6-one;1-tert-butyl-2-chloro-7-methylpurin-6-one;5-tert-butyl-3-methyl-7,7a-dihydro-3aH-imidazo[4,5-c]pyridine-4,6-dione;6-tert-butyl-1-methyl-[1,3]oxazolo[5,4-d]pyrimidine-2,7-dione;5-tert-butyl-3-methyl-4-oxoimidazo[4,5-d]pyridazine-7-carboxamide;1-tert-butyl-2-methylpyrido[2,3-d]pyrimidin-4-one;3-tert-butyl-5-methyl-7H-pyrrolo[3,4-d]pyrimidin-4-one;5-tert-butyl-3-methyltriazolo[4,5-d]pyridazin-4-one;3-tert-butyl-4-oxopyrazolo[5,1-f][1,2,4]triazine-5-carbonitrile;1-tert-butyl-2,7,8-trimethylpurin-6-one
SMILESCC(C)(C)n1c(N)nc(=O)c2cccnc21.CC(C)(C)n1c(N)nc2ncccc2c1=O.CC(C)(C)n1c(N)nc2ncsc2c1=O.CC(C)(C)n1c(N)nn2c(C(F)(F)F)ncc2c1=O.CC(C)(C)n1cnc2nc(N)sc2c1=O.CC(C)(C)n1cnn2ncc(C#N)c2c1=O.CC1=NCc2ncn(C(C)(C)C)c(=O)c21.CN1C=NC2CC(=O)N(C(C)(C)C)C(=O)C21.Cc1ccnc2c1c(=O)nc(N)n2C(C)(C)C.Cc1ccnc2nc(N)n(C(C)(C)C)c(=O)c12.Cc1nc(=O)c2cccnc2n1C(C)(C)C.Cc1nc2nc(C)n(C)c2c(=O)n1C(C)(C)C.Cc1nc2nc(Cl)n(C)c2c(=O)n1C(C)(C)C.Cc1nc2nc(N)n(C)c2c(=O)n1C(C)(C)C.Cn1c(=O)oc2ncn(C(C)(C)C)c(=O)c21.Cn1cnc2c(C(N)=O)nn(C(C)(C)C)c(=O)c21.Cn1cnc2nc(Cl)n(C(C)(C)C)c(=O)c21.Cn1cnc2nc(N)n(C(C)(C)C)c2c1=O.Cn1nnc2cnn(C(C)(C)C)c(=O)c21
InChIInChI=1S/C12H18N4O.2C12H16N4O.C12H15N3O.C11H15ClN4O.C11H15N5O2.C11H17N5O.2C11H14N4O.C11H17N3O2.C11H15N3O.C10H13ClN4O.C10H12F3N5O.C10H15N5O.C10H11N5O.C10H13N3O3.C9H13N5O.2C9H12N4OS/c1-7-13-10-9(15(7)6)11(17)16(8(2)14-10)12(3,4)5;1-7-5-6-14-9-8(7)10(17)15-11(13)16(9)12(2,3)4;1-7-5-6-14-9-8(7)10(17)16(11(13)15-9)12(2,3)4;1-8-14-11(16)9-6-5-7-13-10(9)15(8)12(2,3)4;1-6-13-8-7(15(5)10(12)14-8)9(17)16(6)11(2,3)4;1-11(2,3)16-10(18)8-6(13-5-15(8)4)7(14-16)9(12)17;1-6-13-8-7(15(5)10(12)14-8)9(17)16(6)11(2,3)4;1-11(2,3)15-8-7(5-4-6-13-8)9(16)14-10(15)12;1-11(2,3)15-9(16)7-5-4-6-13-8(7)14-10(15)12;1-11(2,3)14-8(15)5-7-9(10(14)16)13(4)6-12-7;1-7-9-8(5-12-7)13-6-14(10(9)15)11(2,3)4;1-10(2,3)15-8(16)6-7(13-9(15)11)12-5-14(6)4;1-9(2,3)17-6(19)5-4-15-7(10(11,12)13)18(5)16-8(17)14;1-10(2,3)15-6-7(13-9(15)11)12-5-14(4)8(6)16;1-10(2,3)14-6-13-15-8(9(14)16)7(4-11)5-12-15;1-10(2,3)13-5-11-7-6(8(13)14)12(4)9(15)16-7;1-9(2,3)14-8(15)7-6(5-10-14)11-12-13(7)4;1-9(2,3)13-7(14)5-6(11-4-15-5)12-8(13)10;1-9(2,3)13-4-11-6-5(7(13)14)15-8(10)12-6/h1-6H3;5-6H,1-4H3,(H2,13,15,17);5-6H,1-4H3,(H2,13,14,15);5-7H,1-4H3;1-5H3;5H,1-4H3,(H2,12,17);1-5H3,(H2,12,14);4-6H,1-3H3,(H2,12,14,16);4-6H,1-3H3,(H2,12,13,14);6-7,9H,5H2,1-4H3;6H,5H2,1-4H3;5H,1-4H3;4H,1-3H3,(H2,14,16);5H,1-4H3,(H2,11,13);5-6H,1-3H3;5H,1-4H3;5H,1-4H3;2*4H,1-3H3,(H2,10,12)
InChIKeySPEHVMYBFXEWRG-UHFFFAOYSA-N
XLogP19.54
TPSA1292.02 Ų
H-Bond Donors10
H-Bond Acceptors101
Rotatable Bonds1
Heavy Atoms310
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004353.96
LogP ≤ 519.54
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 10101

Analyze 8-amino-1-tert-butyl-2,7-dimethylpurin-6-one;8-amino-7-tert-butyl-1-methylpurin-6-one;2-amino-1-tert-butyl-5-methylpyrido[2,3-d]pyrimidin-4-one;2-amino-3-tert-butyl-5-methylpyrido[2,3-d]pyrimidin-4-one;2-amino-1-tert-butylpyrido[2,3-d]pyrimidin-4-one;2-amino-3-tert-butylpyrido[2,3-d]pyrimidin-4-one;2-amino-6-tert-butyl-[1,3]thiazolo[4,5-d]pyrimidin-7-one;5-amino-6-tert-butyl-[1,3]thiazolo[4,5-d]pyrimidin-7-one;2-amino-3-tert-butyl-7-(trifluoromethyl)imidazo[5,1-f][1,2,4]triazin-4-one;1-tert-butyl-8-chloro-2,7-dimethylpurin-6-one;1-tert-butyl-2-chloro-7-methylpurin-6-one;5-tert-butyl-3-methyl-7,7a-dihydro-3aH-imidazo[4,5-c]pyridine-4,6-dione;6-tert-butyl-1-methyl-[1,3]oxazolo[5,4-d]pyrimidine-2,7-dione;5-tert-butyl-3-methyl-4-oxoimidazo[4,5-d]pyridazine-7-carboxamide;1-tert-butyl-2-methylpyrido[2,3-d]pyrimidin-4-one;3-tert-butyl-5-methyl-7H-pyrrolo[3,4-d]pyrimidin-4-one;5-tert-butyl-3-methyltriazolo[4,5-d]pyridazin-4-one;3-tert-butyl-4-oxopyrazolo[5,1-f][1,2,4]triazine-5-carbonitrile;1-tert-butyl-2,7,8-trimethylpurin-6-one with MolForge

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What is the IUPAC name of 8-amino-1-tert-butyl-2,7-dimethylpurin-6-one;8-amino-7-tert-butyl-1-methylpurin-6-one;2-amino-1-tert-butyl-5-methylpyrido[2,3-d]pyrimidin-4-one;2-amino-3-tert-butyl-5-methylpyrido[2,3-d]pyrimidin-4-one;2-amino-1-tert-butylpyrido[2,3-d]pyrimidin-4-one;2-amino-3-tert-butylpyrido[2,3-d]pyrimidin-4-one;2-amino-6-tert-butyl-[1,3]thiazolo[4,5-d]pyrimidin-7-one;5-amino-6-tert-butyl-[1,3]thiazolo[4,5-d]pyrimidin-7-one;2-amino-3-tert-butyl-7-(trifluoromethyl)imidazo[5,1-f][1,2,4]triazin-4-one;1-tert-butyl-8-chloro-2,7-dimethylpurin-6-one;1-tert-butyl-2-chloro-7-methylpurin-6-one;5-tert-butyl-3-methyl-7,7a-dihydro-3aH-imidazo[4,5-c]pyridine-4,6-dione;6-tert-butyl-1-methyl-[1,3]oxazolo[5,4-d]pyrimidine-2,7-dione;5-tert-butyl-3-methyl-4-oxoimidazo[4,5-d]pyridazine-7-carboxamide;1-tert-butyl-2-methylpyrido[2,3-d]pyrimidin-4-one;3-tert-butyl-5-methyl-7H-pyrrolo[3,4-d]pyrimidin-4-one;5-tert-butyl-3-methyltriazolo[4,5-d]pyridazin-4-one;3-tert-butyl-4-oxopyrazolo[5,1-f][1,2,4]triazine-5-carbonitrile;1-tert-butyl-2,7,8-trimethylpurin-6-one?
The IUPAC name of 8-amino-1-tert-butyl-2,7-dimethylpurin-6-one;8-amino-7-tert-butyl-1-methylpurin-6-one;2-amino-1-tert-butyl-5-methylpyrido[2,3-d]pyrimidin-4-one;2-amino-3-tert-butyl-5-methylpyrido[2,3-d]pyrimidin-4-one;2-amino-1-tert-butylpyrido[2,3-d]pyrimidin-4-one;2-amino-3-tert-butylpyrido[2,3-d]pyrimidin-4-one;2-amino-6-tert-butyl-[1,3]thiazolo[4,5-d]pyrimidin-7-one;5-amino-6-tert-butyl-[1,3]thiazolo[4,5-d]pyrimidin-7-one;2-amino-3-tert-butyl-7-(trifluoromethyl)imidazo[5,1-f][1,2,4]triazin-4-one;1-tert-butyl-8-chloro-2,7-dimethylpurin-6-one;1-tert-butyl-2-chloro-7-methylpurin-6-one;5-tert-butyl-3-methyl-7,7a-dihydro-3aH-imidazo[4,5-c]pyridine-4,6-dione;6-tert-butyl-1-methyl-[1,3]oxazolo[5,4-d]pyrimidine-2,7-dione;5-tert-butyl-3-methyl-4-oxoimidazo[4,5-d]pyridazine-7-carboxamide;1-tert-butyl-2-methylpyrido[2,3-d]pyrimidin-4-one;3-tert-butyl-5-methyl-7H-pyrrolo[3,4-d]pyrimidin-4-one;5-tert-butyl-3-methyltriazolo[4,5-d]pyridazin-4-one;3-tert-butyl-4-oxopyrazolo[5,1-f][1,2,4]triazine-5-carbonitrile;1-tert-butyl-2,7,8-trimethylpurin-6-one (CID 160898399) is 8-amino-1-tert-butyl-2,7-dimethylpurin-6-one;8-amino-7-tert-butyl-1-methylpurin-6-one;2-amino-1-tert-butyl-5-methylpyrido[2,3-d]pyrimidin-4-one;2-amino-3-tert-butyl-5-methylpyrido[2,3-d]pyrimidin-4-one;2-amino-1-tert-butylpyrido[2,3-d]pyrimidin-4-one;2-amino-3-tert-butylpyrido[2,3-d]pyrimidin-4-one;2-amino-6-tert-butyl-[1,3]thiazolo[4,5-d]pyrimidin-7-one;5-amino-6-tert-butyl-[1,3]thiazolo[4,5-d]pyrimidin-7-one;2-amino-3-tert-butyl-7-(trifluoromethyl)imidazo[5,1-f][1,2,4]triazin-4-one;1-tert-butyl-8-chloro-2,7-dimethylpurin-6-one;1-tert-butyl-2-chloro-7-methylpurin-6-one;5-tert-butyl-3-methyl-7,7a-dihydro-3aH-imidazo[4,5-c]pyridine-4,6-dione;6-tert-butyl-1-methyl-[1,3]oxazolo[5,4-d]pyrimidine-2,7-dione;5-tert-butyl-3-methyl-4-oxoimidazo[4,5-d]pyridazine-7-carboxamide;1-tert-butyl-2-methylpyrido[2,3-d]pyrimidin-4-one;3-tert-butyl-5-methyl-7H-pyrrolo[3,4-d]pyrimidin-4-one;5-tert-butyl-3-methyltriazolo[4,5-d]pyridazin-4-one;3-tert-butyl-4-oxopyrazolo[5,1-f][1,2,4]triazine-5-carbonitrile;1-tert-butyl-2,7,8-trimethylpurin-6-one.
What is the SMILES notation for 8-amino-1-tert-butyl-2,7-dimethylpurin-6-one;8-amino-7-tert-butyl-1-methylpurin-6-one;2-amino-1-tert-butyl-5-methylpyrido[2,3-d]pyrimidin-4-one;2-amino-3-tert-butyl-5-methylpyrido[2,3-d]pyrimidin-4-one;2-amino-1-tert-butylpyrido[2,3-d]pyrimidin-4-one;2-amino-3-tert-butylpyrido[2,3-d]pyrimidin-4-one;2-amino-6-tert-butyl-[1,3]thiazolo[4,5-d]pyrimidin-7-one;5-amino-6-tert-butyl-[1,3]thiazolo[4,5-d]pyrimidin-7-one;2-amino-3-tert-butyl-7-(trifluoromethyl)imidazo[5,1-f][1,2,4]triazin-4-one;1-tert-butyl-8-chloro-2,7-dimethylpurin-6-one;1-tert-butyl-2-chloro-7-methylpurin-6-one;5-tert-butyl-3-methyl-7,7a-dihydro-3aH-imidazo[4,5-c]pyridine-4,6-dione;6-tert-butyl-1-methyl-[1,3]oxazolo[5,4-d]pyrimidine-2,7-dione;5-tert-butyl-3-methyl-4-oxoimidazo[4,5-d]pyridazine-7-carboxamide;1-tert-butyl-2-methylpyrido[2,3-d]pyrimidin-4-one;3-tert-butyl-5-methyl-7H-pyrrolo[3,4-d]pyrimidin-4-one;5-tert-butyl-3-methyltriazolo[4,5-d]pyridazin-4-one;3-tert-butyl-4-oxopyrazolo[5,1-f][1,2,4]triazine-5-carbonitrile;1-tert-butyl-2,7,8-trimethylpurin-6-one?
The canonical SMILES for 8-amino-1-tert-butyl-2,7-dimethylpurin-6-one;8-amino-7-tert-butyl-1-methylpurin-6-one;2-amino-1-tert-butyl-5-methylpyrido[2,3-d]pyrimidin-4-one;2-amino-3-tert-butyl-5-methylpyrido[2,3-d]pyrimidin-4-one;2-amino-1-tert-butylpyrido[2,3-d]pyrimidin-4-one;2-amino-3-tert-butylpyrido[2,3-d]pyrimidin-4-one;2-amino-6-tert-butyl-[1,3]thiazolo[4,5-d]pyrimidin-7-one;5-amino-6-tert-butyl-[1,3]thiazolo[4,5-d]pyrimidin-7-one;2-amino-3-tert-butyl-7-(trifluoromethyl)imidazo[5,1-f][1,2,4]triazin-4-one;1-tert-butyl-8-chloro-2,7-dimethylpurin-6-one;1-tert-butyl-2-chloro-7-methylpurin-6-one;5-tert-butyl-3-methyl-7,7a-dihydro-3aH-imidazo[4,5-c]pyridine-4,6-dione;6-tert-butyl-1-methyl-[1,3]oxazolo[5,4-d]pyrimidine-2,7-dione;5-tert-butyl-3-methyl-4-oxoimidazo[4,5-d]pyridazine-7-carboxamide;1-tert-butyl-2-methylpyrido[2,3-d]pyrimidin-4-one;3-tert-butyl-5-methyl-7H-pyrrolo[3,4-d]pyrimidin-4-one;5-tert-butyl-3-methyltriazolo[4,5-d]pyridazin-4-one;3-tert-butyl-4-oxopyrazolo[5,1-f][1,2,4]triazine-5-carbonitrile;1-tert-butyl-2,7,8-trimethylpurin-6-one is CC(C)(C)n1c(N)nc(=O)c2cccnc21.CC(C)(C)n1c(N)nc2ncccc2c1=O.CC(C)(C)n1c(N)nc2ncsc2c1=O.CC(C)(C)n1c(N)nn2c(C(F)(F)F)ncc2c1=O.CC(C)(C)n1cnc2nc(N)sc2c1=O.CC(C)(C)n1cnn2ncc(C#N)c2c1=O.CC1=NCc2ncn(C(C)(C)C)c(=O)c21.CN1C=NC2CC(=O)N(C(C)(C)C)C(=O)C21.Cc1ccnc2c1c(=O)nc(N)n2C(C)(C)C.Cc1ccnc2nc(N)n(C(C)(C)C)c(=O)c12.Cc1nc(=O)c2cccnc2n1C(C)(C)C.Cc1nc2nc(C)n(C)c2c(=O)n1C(C)(C)C.Cc1nc2nc(Cl)n(C)c2c(=O)n1C(C)(C)C.Cc1nc2nc(N)n(C)c2c(=O)n1C(C)(C)C.Cn1c(=O)oc2ncn(C(C)(C)C)c(=O)c21.Cn1cnc2c(C(N)=O)nn(C(C)(C)C)c(=O)c21.Cn1cnc2nc(Cl)n(C(C)(C)C)c(=O)c21.Cn1cnc2nc(N)n(C(C)(C)C)c2c1=O.Cn1nnc2cnn(C(C)(C)C)c(=O)c21.
What is the InChIKey of 8-amino-1-tert-butyl-2,7-dimethylpurin-6-one;8-amino-7-tert-butyl-1-methylpurin-6-one;2-amino-1-tert-butyl-5-methylpyrido[2,3-d]pyrimidin-4-one;2-amino-3-tert-butyl-5-methylpyrido[2,3-d]pyrimidin-4-one;2-amino-1-tert-butylpyrido[2,3-d]pyrimidin-4-one;2-amino-3-tert-butylpyrido[2,3-d]pyrimidin-4-one;2-amino-6-tert-butyl-[1,3]thiazolo[4,5-d]pyrimidin-7-one;5-amino-6-tert-butyl-[1,3]thiazolo[4,5-d]pyrimidin-7-one;2-amino-3-tert-butyl-7-(trifluoromethyl)imidazo[5,1-f][1,2,4]triazin-4-one;1-tert-butyl-8-chloro-2,7-dimethylpurin-6-one;1-tert-butyl-2-chloro-7-methylpurin-6-one;5-tert-butyl-3-methyl-7,7a-dihydro-3aH-imidazo[4,5-c]pyridine-4,6-dione;6-tert-butyl-1-methyl-[1,3]oxazolo[5,4-d]pyrimidine-2,7-dione;5-tert-butyl-3-methyl-4-oxoimidazo[4,5-d]pyridazine-7-carboxamide;1-tert-butyl-2-methylpyrido[2,3-d]pyrimidin-4-one;3-tert-butyl-5-methyl-7H-pyrrolo[3,4-d]pyrimidin-4-one;5-tert-butyl-3-methyltriazolo[4,5-d]pyridazin-4-one;3-tert-butyl-4-oxopyrazolo[5,1-f][1,2,4]triazine-5-carbonitrile;1-tert-butyl-2,7,8-trimethylpurin-6-one?
The InChIKey is SPEHVMYBFXEWRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O.2C12H16N4O.C12H15N3O.C11H15ClN4O.C11H15N5O2.C11H17N5O.2C11H14N4O.C11H17N3O2.C11H15N3O.C10H13ClN4O.C10H12F3N5O.C10H15N5O.C10H11N5O.C10H13N3O3.C9H13N5O.2C9H12N4OS/c1-7-13-10-9(15(7)6)11(17)16(8(2)14-10)12(3,4)5;1-7-5-6-14-9-8(7)10(17)15-11(13)16(9)12(2,3)4;1-7-5-6-14-9-8(7)10(17)16(11(13)15-9)12(2,3)4;1-8-14-11(16)9-6-5-7-13-10(9)15(8)12(2,3)4;1-6-13-8-7(15(5)10(12)14-8)9(17)16(6)11(2,3)4;1-11(2,3)16-10(18)8-6(13-5-15(8)4)7(14-16)9(12)17;1-6-13-8-7(15(5)10(12)14-8)9(17)16(6)11(2,3)4;1-11(2,3)15-8-7(5-4-6-13-8)9(16)14-10(15)12;1-11(2,3)15-9(16)7-5-4-6-13-8(7)14-10(15)12;1-11(2,3)14-8(15)5-7-9(10(14)16)13(4)6-12-7;1-7-9-8(5-12-7)13-6-14(10(9)15)11(2,3)4;1-10(2,3)15-8(16)6-7(13-9(15)11)12-5-14(6)4;1-9(2,3)17-6(19)5-4-15-7(10(11,12)13)18(5)16-8(17)14;1-10(2,3)15-6-7(13-9(15)11)12-5-14(4)8(6)16;1-10(2,3)14-6-13-15-8(9(14)16)7(4-11)5-12-15;1-10(2,3)13-5-11-7-6(8(13)14)12(4)9(15)16-7;1-9(2,3)14-8(15)7-6(5-10-14)11-12-13(7)4;1-9(2,3)13-7(14)5-6(11-4-15-5)12-8(13)10;1-9(2,3)13-4-11-6-5(7(13)14)15-8(10)12-6/h1-6H3;5-6H,1-4H3,(H2,13,15,17);5-6H,1-4H3,(H2,13,14,15);5-7H,1-4H3;1-5H3;5H,1-4H3,(H2,12,17);1-5H3,(H2,12,14);4-6H,1-3H3,(H2,12,14,16);4-6H,1-3H3,(H2,12,13,14);6-7,9H,5H2,1-4H3;6H,5H2,1-4H3;5H,1-4H3;4H,1-3H3,(H2,14,16);5H,1-4H3,(H2,11,13);5-6H,1-3H3;5H,1-4H3;5H,1-4H3;2*4H,1-3H3,(H2,10,12).
What are the key properties of 8-amino-1-tert-butyl-2,7-dimethylpurin-6-one;8-amino-7-tert-butyl-1-methylpurin-6-one;2-amino-1-tert-butyl-5-methylpyrido[2,3-d]pyrimidin-4-one;2-amino-3-tert-butyl-5-methylpyrido[2,3-d]pyrimidin-4-one;2-amino-1-tert-butylpyrido[2,3-d]pyrimidin-4-one;2-amino-3-tert-butylpyrido[2,3-d]pyrimidin-4-one;2-amino-6-tert-butyl-[1,3]thiazolo[4,5-d]pyrimidin-7-one;5-amino-6-tert-butyl-[1,3]thiazolo[4,5-d]pyrimidin-7-one;2-amino-3-tert-butyl-7-(trifluoromethyl)imidazo[5,1-f][1,2,4]triazin-4-one;1-tert-butyl-8-chloro-2,7-dimethylpurin-6-one;1-tert-butyl-2-chloro-7-methylpurin-6-one;5-tert-butyl-3-methyl-7,7a-dihydro-3aH-imidazo[4,5-c]pyridine-4,6-dione;6-tert-butyl-1-methyl-[1,3]oxazolo[5,4-d]pyrimidine-2,7-dione;5-tert-butyl-3-methyl-4-oxoimidazo[4,5-d]pyridazine-7-carboxamide;1-tert-butyl-2-methylpyrido[2,3-d]pyrimidin-4-one;3-tert-butyl-5-methyl-7H-pyrrolo[3,4-d]pyrimidin-4-one;5-tert-butyl-3-methyltriazolo[4,5-d]pyridazin-4-one;3-tert-butyl-4-oxopyrazolo[5,1-f][1,2,4]triazine-5-carbonitrile;1-tert-butyl-2,7,8-trimethylpurin-6-one?
8-amino-1-tert-butyl-2,7-dimethylpurin-6-one;8-amino-7-tert-butyl-1-methylpurin-6-one;2-amino-1-tert-butyl-5-methylpyrido[2,3-d]pyrimidin-4-one;2-amino-3-tert-butyl-5-methylpyrido[2,3-d]pyrimidin-4-one;2-amino-1-tert-butylpyrido[2,3-d]pyrimidin-4-one;2-amino-3-tert-butylpyrido[2,3-d]pyrimidin-4-one;2-amino-6-tert-butyl-[1,3]thiazolo[4,5-d]pyrimidin-7-one;5-amino-6-tert-butyl-[1,3]thiazolo[4,5-d]pyrimidin-7-one;2-amino-3-tert-butyl-7-(trifluoromethyl)imidazo[5,1-f][1,2,4]triazin-4-one;1-tert-butyl-8-chloro-2,7-dimethylpurin-6-one;1-tert-butyl-2-chloro-7-methylpurin-6-one;5-tert-butyl-3-methyl-7,7a-dihydro-3aH-imidazo[4,5-c]pyridine-4,6-dione;6-tert-butyl-1-methyl-[1,3]oxazolo[5,4-d]pyrimidine-2,7-dione;5-tert-butyl-3-methyl-4-oxoimidazo[4,5-d]pyridazine-7-carboxamide;1-tert-butyl-2-methylpyrido[2,3-d]pyrimidin-4-one;3-tert-butyl-5-methyl-7H-pyrrolo[3,4-d]pyrimidin-4-one;5-tert-butyl-3-methyltriazolo[4,5-d]pyridazin-4-one;3-tert-butyl-4-oxopyrazolo[5,1-f][1,2,4]triazine-5-carbonitrile;1-tert-butyl-2,7,8-trimethylpurin-6-one has a molecular weight of 4353.96 g/mol, XLogP of 19.54, 1 rotatable bonds, 10 hydrogen bond donors, and 101 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-1-tert-butyl-2,7-dimethylpurin-6-one;8-amino-7-tert-butyl-1-methylpurin-6-one;2-amino-1-tert-butyl-5-methylpyrido[2,3-d]pyrimidin-4-one;2-amino-3-tert-butyl-5-methylpyrido[2,3-d]pyrimidin-4-one;2-amino-1-tert-butylpyrido[2,3-d]pyrimidin-4-one;2-amino-3-tert-butylpyrido[2,3-d]pyrimidin-4-one;2-amino-6-tert-butyl-[1,3]thiazolo[4,5-d]pyrimidin-7-one;5-amino-6-tert-butyl-[1,3]thiazolo[4,5-d]pyrimidin-7-one;2-amino-3-tert-butyl-7-(trifluoromethyl)imidazo[5,1-f][1,2,4]triazin-4-one;1-tert-butyl-8-chloro-2,7-dimethylpurin-6-one;1-tert-butyl-2-chloro-7-methylpurin-6-one;5-tert-butyl-3-methyl-7,7a-dihydro-3aH-imidazo[4,5-c]pyridine-4,6-dione;6-tert-butyl-1-methyl-[1,3]oxazolo[5,4-d]pyrimidine-2,7-dione;5-tert-butyl-3-methyl-4-oxoimidazo[4,5-d]pyridazine-7-carboxamide;1-tert-butyl-2-methylpyrido[2,3-d]pyrimidin-4-one;3-tert-butyl-5-methyl-7H-pyrrolo[3,4-d]pyrimidin-4-one;5-tert-butyl-3-methyltriazolo[4,5-d]pyridazin-4-one;3-tert-butyl-4-oxopyrazolo[5,1-f][1,2,4]triazine-5-carbonitrile;1-tert-butyl-2,7,8-trimethylpurin-6-one is sourced from PubChem (CID 160898399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).