8-amino-2-methyl-1,7-dihydropurin-6-one;8-amino-3H-pyrido[3,4-d]pyrimidin-4-one;2-amino-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one;5-amino-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one;2-amino-7-(trifluoromethyl)-3H-imidazo[5,1-f][1,2,4]triazin-4-one;1-tert-butyl-2,5-dimethylpyrido[2,3-d]pyrimidin-4-one;3-tert-butylimidazo[4,5-b]pyrazin-2-amine;1-tert-butyl-2-methylpyrido[2,3-d]pyrimidin-4-one;2-tert-butyl-5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-one;7-tert-butylpurin-8-amine;2,8-dimethyl-1,7-dihydropurin-6-one;2,5-dimethyl-3,7-dihydropyrrolo[3,2-d]pyrimidine-4,6-dione;2,7-dimethyl-1H-purin-6-one;3-methyl-7,7a-dihydro-3aH-imidazo[4,5-c]pyridine-4,6-dione;1-methyl-6H-[1,3]oxazolo[5,4-d]pyrimidine-2,7-dione;tridecakis(2-methylpropane);3-methyl-5H-triazolo[4,5-c]pyridin-4-one;1-methyl-6H-triazolo[4,5-d]pyridazin-7-one;3,5,6,8-tetrahydroquinazoline-4,7-dione

C189H286F3N69O21S2 — CID 159305573

IUPAC8-amino-2-methyl-1,7-dihydropurin-6-one;8-amino-3H-pyrido[3,4-d]pyrimidin-4-one;2-amino-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one;5-amino-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one;2-amino-7-(trifluoromethyl)-3H-imidazo[5,1-f][1,2,4]triazin-4-one;1-tert-butyl-2,5-dimethylpyrido[2,3-d]pyrimidin-4-one;3-tert-butylimidazo[4,5-b]pyrazin-2-amine;1-tert-butyl-2-methylpyrido[2,3-d]pyrimidin-4-one;2-tert-butyl-5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-one;7-tert-butylpurin-8-amine;2,8-dimethyl-1,7-dihydropurin-6-one;2,5-dimethyl-3,7-dihydropyrrolo[3,2-d]pyrimidine-4,6-dione;2,7-dimethyl-1H-purin-6-one;3-methyl-7,7a-dihydro-3aH-imidazo[4,5-c]pyridine-4,6-dione;1-methyl-6H-[1,3]oxazolo[5,4-d]pyrimidine-2,7-dione;tridecakis(2-methylpropane);3-methyl-5H-triazolo[4,5-c]pyridin-4-one;1-methyl-6H-triazolo[4,5-d]pyridazin-7-one;3,5,6,8-tetrahydroquinazoline-4,7-dione
SMILESCC(C)(C)n1c(N)nc2nccnc21.CC(C)(C)n1c(N)nc2ncncc21.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CN1C=NC2CC(=O)NC(=O)C21.Cc1cccc2nn(C(C)(C)C)c(=O)n12.Cc1ccnc2c1c(=O)nc(C)n2C(C)(C)C.Cc1nc(=O)c2cccnc2n1C(C)(C)C.Cc1nc2c(c(=O)[nH]1)N(C)C(=O)C2.Cc1nc2nc(C)[nH]c2c(=O)[nH]1.Cc1nc2nc(N)[nH]c2c(=O)[nH]1.Cc1nc2ncn(C)c2c(=O)[nH]1.Cn1c(=O)oc2nc[nH]c(=O)c21.Cn1nnc2cc[nH]c(=O)c21.Cn1nnc2cn[nH]c(=O)c21.Nc1nc2nc[nH]c(=O)c2s1.Nc1nc2ncsc2c(=O)[nH]1.Nc1nccc2c(=O)[nH]cnc12.Nc1nn2c(C(F)(F)F)ncc2c(=O)[nH]1.O=C1CCc2c(nc[nH]c2=O)C1
InChIInChI=1S/C13H17N3O.C12H15N3O.C11H15N3O.2C9H13N5.C8H9N3O2.C8H8N2O2.2C7H8N4O.C7H6N4O.C7H9N3O2.C6H4F3N5O.C6H7N5O.C6H6N4O.C6H5N3O3.C5H5N5O.2C5H4N4OS.13C4H10/c1-8-6-7-14-11-10(8)12(17)15-9(2)16(11)13(3,4)5;1-8-14-11(16)9-6-5-7-13-10(9)15(8)12(2,3)4;1-8-6-5-7-9-12-14(11(2,3)4)10(15)13(8)9;1-9(2,3)14-6-4-11-5-12-7(6)13-8(14)10;1-9(2,3)14-7-6(13-8(14)10)11-4-5-12-7;1-4-9-5-3-6(12)11(2)7(5)8(13)10-4;11-5-1-2-6-7(3-5)9-4-10-8(6)12;1-4-9-6-5(7(12)10-4)11(2)3-8-6;1-3-8-5-6(9-3)10-4(2)11-7(5)12;8-6-5-4(1-2-9-6)7(12)11-3-10-5;1-10-3-8-4-2-5(11)9-7(12)6(4)10;7-6(8,9)4-11-1-2-3(15)12-5(10)13-14(2)4;1-2-8-4-3(5(12)9-2)10-6(7)11-4;1-10-5-4(8-9-10)2-3-7-6(5)11;1-9-3-4(10)7-2-8-5(3)12-6(9)11;1-10-4-3(7-9-10)2-6-8-5(4)11;6-5-8-3-2(4(10)9-5)11-1-7-3;6-5-9-3-2(11-5)4(10)8-1-7-3;13*1-4(2)3/h6-7H,1-5H3;5-7H,1-4H3;5-7H,1-4H3;4-5H,1-3H3,(H2,10,11,12,13);4-5H,1-3H3,(H2,10,11,13);3H2,1-2H3,(H,9,10,13);4H,1-3H2,(H,9,10,12);3H,1-2H3,(H,9,10,12);1-2H3,(H2,8,9,10,11,12);1-3H,(H2,8,9)(H,10,11,12);3-4,6H,2H2,1H3,(H,9,11,12);1H,(H3,10,12,13,15);1H3,(H4,7,8,9,10,11,12);2-3H,1H3,(H,7,11);2H,1H3,(H,7,8,10);2H,1H3,(H,8,11);1H,(H3,6,8,9,10);1H,(H3,6,7,8,9,10);13*4H,1-3H3
InChIKeyLBWKXDVIMOZJJA-UHFFFAOYSA-N
MW3981.96 g/mol
LogP25.21
Rot. Bonds

About 8-amino-2-methyl-1,7-dihydropurin-6-one;8-amino-3H-pyrido[3,4-d]pyrimidin-4-one;2-amino-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one;5-amino-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one;2-amino-7-(trifluoromethyl)-3H-imidazo[5,1-f][1,2,4]triazin-4-one;1-tert-butyl-2,5-dimethylpyrido[2,3-d]pyrimidin-4-one;3-tert-butylimidazo[4,5-b]pyrazin-2-amine;1-tert-butyl-2-methylpyrido[2,3-d]pyrimidin-4-one;2-tert-butyl-5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-one;7-tert-butylpurin-8-amine;2,8-dimethyl-1,7-dihydropurin-6-one;2,5-dimethyl-3,7-dihydropyrrolo[3,2-d]pyrimidine-4,6-dione;2,7-dimethyl-1H-purin-6-one;3-methyl-7,7a-dihydro-3aH-imidazo[4,5-c]pyridine-4,6-dione;1-methyl-6H-[1,3]oxazolo[5,4-d]pyrimidine-2,7-dione;tridecakis(2-methylpropane);3-methyl-5H-triazolo[4,5-c]pyridin-4-one;1-methyl-6H-triazolo[4,5-d]pyridazin-7-one;3,5,6,8-tetrahydroquinazoline-4,7-dione

8-amino-2-methyl-1,7-dihydropurin-6-one;8-amino-3H-pyrido[3,4-d]pyrimidin-4-one;2-amino-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one;5-amino-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one;2-amino-7-(trifluoromethyl)-3H-imidazo[5,1-f][1,2,4]triazin-4-one;1-tert-butyl-2,5-dimethylpyrido[2,3-d]pyrimidin-4-one;3-tert-butylimidazo[4,5-b]pyrazin-2-amine;1-tert-butyl-2-methylpyrido[2,3-d]pyrimidin-4-one;2-tert-butyl-5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-one;7-tert-butylpurin-8-amine;2,8-dimethyl-1,7-dihydropurin-6-one;2,5-dimethyl-3,7-dihydropyrrolo[3,2-d]pyrimidine-4,6-dione;2,7-dimethyl-1H-purin-6-one;3-methyl-7,7a-dihydro-3aH-imidazo[4,5-c]pyridine-4,6-dione;1-methyl-6H-[1,3]oxazolo[5,4-d]pyrimidine-2,7-dione;tridecakis(2-methylpropane);3-methyl-5H-triazolo[4,5-c]pyridin-4-one;1-methyl-6H-triazolo[4,5-d]pyridazin-7-one;3,5,6,8-tetrahydroquinazoline-4,7-dione (PubChem CID 159305573) has the molecular formula C189H286F3N69O21S2 and a molecular weight of 3981.96 g/mol. Its IUPAC name is 8-amino-2-methyl-1,7-dihydropurin-6-one;8-amino-3H-pyrido[3,4-d]pyrimidin-4-one;2-amino-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one;5-amino-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one;2-amino-7-(trifluoromethyl)-3H-imidazo[5,1-f][1,2,4]triazin-4-one;1-tert-butyl-2,5-dimethylpyrido[2,3-d]pyrimidin-4-one;3-tert-butylimidazo[4,5-b]pyrazin-2-amine;1-tert-butyl-2-methylpyrido[2,3-d]pyrimidin-4-one;2-tert-butyl-5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-one;7-tert-butylpurin-8-amine;2,8-dimethyl-1,7-dihydropurin-6-one;2,5-dimethyl-3,7-dihydropyrrolo[3,2-d]pyrimidine-4,6-dione;2,7-dimethyl-1H-purin-6-one;3-methyl-7,7a-dihydro-3aH-imidazo[4,5-c]pyridine-4,6-dione;1-methyl-6H-[1,3]oxazolo[5,4-d]pyrimidine-2,7-dione;tridecakis(2-methylpropane);3-methyl-5H-triazolo[4,5-c]pyridin-4-one;1-methyl-6H-triazolo[4,5-d]pyridazin-7-one;3,5,6,8-tetrahydroquinazoline-4,7-dione.

Molecular Properties

Compound Name8-amino-2-methyl-1,7-dihydropurin-6-one;8-amino-3H-pyrido[3,4-d]pyrimidin-4-one;2-amino-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one;5-amino-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one;2-amino-7-(trifluoromethyl)-3H-imidazo[5,1-f][1,2,4]triazin-4-one;1-tert-butyl-2,5-dimethylpyrido[2,3-d]pyrimidin-4-one;3-tert-butylimidazo[4,5-b]pyrazin-2-amine;1-tert-butyl-2-methylpyrido[2,3-d]pyrimidin-4-one;2-tert-butyl-5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-one;7-tert-butylpurin-8-amine;2,8-dimethyl-1,7-dihydropurin-6-one;2,5-dimethyl-3,7-dihydropyrrolo[3,2-d]pyrimidine-4,6-dione;2,7-dimethyl-1H-purin-6-one;3-methyl-7,7a-dihydro-3aH-imidazo[4,5-c]pyridine-4,6-dione;1-methyl-6H-[1,3]oxazolo[5,4-d]pyrimidine-2,7-dione;tridecakis(2-methylpropane);3-methyl-5H-triazolo[4,5-c]pyridin-4-one;1-methyl-6H-triazolo[4,5-d]pyridazin-7-one;3,5,6,8-tetrahydroquinazoline-4,7-dione
PubChem CID159305573
Molecular FormulaC189H286F3N69O21S2
Molecular Weight3981.96 g/mol
Exact Mass3979.28
IUPAC Name8-amino-2-methyl-1,7-dihydropurin-6-one;8-amino-3H-pyrido[3,4-d]pyrimidin-4-one;2-amino-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one;5-amino-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one;2-amino-7-(trifluoromethyl)-3H-imidazo[5,1-f][1,2,4]triazin-4-one;1-tert-butyl-2,5-dimethylpyrido[2,3-d]pyrimidin-4-one;3-tert-butylimidazo[4,5-b]pyrazin-2-amine;1-tert-butyl-2-methylpyrido[2,3-d]pyrimidin-4-one;2-tert-butyl-5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-one;7-tert-butylpurin-8-amine;2,8-dimethyl-1,7-dihydropurin-6-one;2,5-dimethyl-3,7-dihydropyrrolo[3,2-d]pyrimidine-4,6-dione;2,7-dimethyl-1H-purin-6-one;3-methyl-7,7a-dihydro-3aH-imidazo[4,5-c]pyridine-4,6-dione;1-methyl-6H-[1,3]oxazolo[5,4-d]pyrimidine-2,7-dione;tridecakis(2-methylpropane);3-methyl-5H-triazolo[4,5-c]pyridin-4-one;1-methyl-6H-triazolo[4,5-d]pyridazin-7-one;3,5,6,8-tetrahydroquinazoline-4,7-dione
SMILESCC(C)(C)n1c(N)nc2nccnc21.CC(C)(C)n1c(N)nc2ncncc21.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CN1C=NC2CC(=O)NC(=O)C21.Cc1cccc2nn(C(C)(C)C)c(=O)n12.Cc1ccnc2c1c(=O)nc(C)n2C(C)(C)C.Cc1nc(=O)c2cccnc2n1C(C)(C)C.Cc1nc2c(c(=O)[nH]1)N(C)C(=O)C2.Cc1nc2nc(C)[nH]c2c(=O)[nH]1.Cc1nc2nc(N)[nH]c2c(=O)[nH]1.Cc1nc2ncn(C)c2c(=O)[nH]1.Cn1c(=O)oc2nc[nH]c(=O)c21.Cn1nnc2cc[nH]c(=O)c21.Cn1nnc2cn[nH]c(=O)c21.Nc1nc2nc[nH]c(=O)c2s1.Nc1nc2ncsc2c(=O)[nH]1.Nc1nccc2c(=O)[nH]cnc12.Nc1nn2c(C(F)(F)F)ncc2c(=O)[nH]1.O=C1CCc2c(nc[nH]c2=O)C1
InChIInChI=1S/C13H17N3O.C12H15N3O.C11H15N3O.2C9H13N5.C8H9N3O2.C8H8N2O2.2C7H8N4O.C7H6N4O.C7H9N3O2.C6H4F3N5O.C6H7N5O.C6H6N4O.C6H5N3O3.C5H5N5O.2C5H4N4OS.13C4H10/c1-8-6-7-14-11-10(8)12(17)15-9(2)16(11)13(3,4)5;1-8-14-11(16)9-6-5-7-13-10(9)15(8)12(2,3)4;1-8-6-5-7-9-12-14(11(2,3)4)10(15)13(8)9;1-9(2,3)14-6-4-11-5-12-7(6)13-8(14)10;1-9(2,3)14-7-6(13-8(14)10)11-4-5-12-7;1-4-9-5-3-6(12)11(2)7(5)8(13)10-4;11-5-1-2-6-7(3-5)9-4-10-8(6)12;1-4-9-6-5(7(12)10-4)11(2)3-8-6;1-3-8-5-6(9-3)10-4(2)11-7(5)12;8-6-5-4(1-2-9-6)7(12)11-3-10-5;1-10-3-8-4-2-5(11)9-7(12)6(4)10;7-6(8,9)4-11-1-2-3(15)12-5(10)13-14(2)4;1-2-8-4-3(5(12)9-2)10-6(7)11-4;1-10-5-4(8-9-10)2-3-7-6(5)11;1-9-3-4(10)7-2-8-5(3)12-6(9)11;1-10-4-3(7-9-10)2-6-8-5(4)11;6-5-8-3-2(4(10)9-5)11-1-7-3;6-5-9-3-2(11-5)4(10)8-1-7-3;13*1-4(2)3/h6-7H,1-5H3;5-7H,1-4H3;5-7H,1-4H3;4-5H,1-3H3,(H2,10,11,12,13);4-5H,1-3H3,(H2,10,11,13);3H2,1-2H3,(H,9,10,13);4H,1-3H2,(H,9,10,12);3H,1-2H3,(H,9,10,12);1-2H3,(H2,8,9,10,11,12);1-3H,(H2,8,9)(H,10,11,12);3-4,6H,2H2,1H3,(H,9,11,12);1H,(H3,10,12,13,15);1H3,(H4,7,8,9,10,11,12);2-3H,1H3,(H,7,11);2H,1H3,(H,7,8,10);2H,1H3,(H,8,11);1H,(H3,6,8,9,10);1H,(H3,6,7,8,9,10);13*4H,1-3H3
InChIKeyLBWKXDVIMOZJJA-UHFFFAOYSA-N
XLogP25.21
TPSA1267.17 Ų
H-Bond Donors22
H-Bond Acceptors76
Rotatable Bonds
Heavy Atoms284
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003981.96
LogP ≤ 525.21
H-Bond Donors ≤ 522
H-Bond Acceptors ≤ 1076

Analyze 8-amino-2-methyl-1,7-dihydropurin-6-one;8-amino-3H-pyrido[3,4-d]pyrimidin-4-one;2-amino-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one;5-amino-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one;2-amino-7-(trifluoromethyl)-3H-imidazo[5,1-f][1,2,4]triazin-4-one;1-tert-butyl-2,5-dimethylpyrido[2,3-d]pyrimidin-4-one;3-tert-butylimidazo[4,5-b]pyrazin-2-amine;1-tert-butyl-2-methylpyrido[2,3-d]pyrimidin-4-one;2-tert-butyl-5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-one;7-tert-butylpurin-8-amine;2,8-dimethyl-1,7-dihydropurin-6-one;2,5-dimethyl-3,7-dihydropyrrolo[3,2-d]pyrimidine-4,6-dione;2,7-dimethyl-1H-purin-6-one;3-methyl-7,7a-dihydro-3aH-imidazo[4,5-c]pyridine-4,6-dione;1-methyl-6H-[1,3]oxazolo[5,4-d]pyrimidine-2,7-dione;tridecakis(2-methylpropane);3-methyl-5H-triazolo[4,5-c]pyridin-4-one;1-methyl-6H-triazolo[4,5-d]pyridazin-7-one;3,5,6,8-tetrahydroquinazoline-4,7-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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;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;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;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 158491016
CID 160898399
CID 160898399
[(2R)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]cyclohexyl]-(5-fluoro-1H-indazol-3-yl)methanone;[(2R)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]cyclohexyl]-(2-phenyl-1H-imidazol-5-yl)methanone;[(2R)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]cyclohexyl]-(1,3-thiazol-2-yl)methanone;[(2R)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]cyclohexyl]-[2-(trifluoromethyl)phenyl]methanone;[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(tetrazolo[1,5-a]pyridin-5-yl)methanone
CID 162287462
[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(5-fluoro-1H-indazol-3-yl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(2-phenyl-1H-imidazol-5-yl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(1,3-thiazol-2-yl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone;[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(tetrazolo[1,5-a]pyridin-5-yl)methanimine
CID 162287467
[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(5-fluoro-1H-indazol-3-yl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(2-phenyl-1H-imidazol-5-yl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(1,3-thiazol-2-yl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone;[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(tetrazolo[1,5-a]pyridin-5-yl)methanone
CID 162287555
N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[(1-phenylpiperidin-4-yl)amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[(1-pyrazin-2-ylpiperidin-4-yl)amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[(1-pyridazin-3-ylpiperidin-4-yl)amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[(1-pyridin-2-ylpiperidin-4-yl)amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[(1-pyrimidin-2-ylpiperidin-4-yl)amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]amino]acetyl]pyrrole-3-carboxamide
CID 157477380
CID 158072664
CID 158072664
ethyl N-[2-[(3-piperidin-1-ylpyrazolo[1,5-a]pyrimidine-6-carbonyl)amino]thiophene-3-carbonyl]carbamate;methyl N-[2-(pyrazolo[1,5-a]pyrimidine-6-carbonylamino)thiophene-3-carbonyl]carbamate;methyl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;propan-2-yl N-[5-fluoro-2-(pyrazolo[1,5-a]pyrimidine-6-carbonylamino)thiophene-3-carbonyl]carbamate;propan-2-yl N-[2-(pyrazolo[1,5-a]pyridine-5-carbonylamino)thiophene-3-carbonyl]carbamate
CID 158283387
1-(1,3-dimethylpyrazol-4-yl)-2-methylpropan-1-one;1-(2,6-dimethylpyrimidin-4-yl)-2-methylpropan-1-one;ethyl 2-[4-(2-methylpropanoyl)triazol-1-yl]acetate;1-(3-fluoro-2-pyridinyl)-2-methylpropan-1-one;1-(3-fluoro-1H-pyrrol-2-yl)-2-methylpropan-1-one;2-methyl-1-(1-methylimidazol-2-yl)propan-1-one;2-methyl-1-(1-methylimidazol-4-yl)propan-1-one;2-methyl-1-(2-methyl-4H-imidazol-5-yl)propan-1-one;2-methyl-1-(3-methylimidazol-4-yl)propan-1-one;2-methyl-1-(3-phenyltriazol-4-yl)propan-1-one;2-methyl-1-(1-propan-2-ylpyrazol-4-yl)propan-1-one;2-methyl-1-(2-propan-2-ylpyrimidin-4-yl)propan-1-one;2-methyl-1-(2-propan-2-yl-1,3-thiazol-4-yl)propan-1-one;3-methyl-1-pyridin-2-ylbutan-2-one;2-methyl-1-pyridin-3-ylpropan-1-one;2-methyl-1-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
CID 159399343
ethyl N-[5-fluoro-2-(pyrazolo[1,5-a]pyridine-5-carbonylamino)thiophene-3-carbonyl]carbamate;methyl N-[2-(imidazo[1,2-a]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;propan-2-yl N-[5-fluoro-2-(pyrazolo[1,5-a]pyridine-5-carbonylamino)thiophene-3-carbonyl]carbamate;propan-2-yl N-[5-fluoro-2-(pyrazolo[1,5-a]pyrimidine-2-carbonylamino)thiophene-3-carbonyl]carbamate;propan-2-yl N-[5-fluoro-2-([1,3]thiazolo[5,4-b]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate
CID 159862604
8-amino-3-tert-butylpyrido[3,4-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;3-tert-butyl-5-chloropyrido[2,3-d]pyrimidin-4-one;3-tert-butyl-6,8-dihydro-5H-quinazoline-4,7-dione;3-tert-butyl-7-(dimethylamino)-5-methylimidazo[5,1-f][1,2,4]triazin-4-one;1-tert-butyl-2,7-dimethylpurin-6-one;3-tert-butyl-2,5-dimethyl-7H-pyrrolo[3,2-d]pyrimidine-4,6-dione;3-tert-butylimidazo[4,5-b]pyrazin-2-amine;5-tert-butyl-3-methyl-7,7a-dihydro-3aH-imidazo[4,5-c]pyridine-4,6-dione;3-tert-butyl-5-methyl-7-morpholin-4-ylimidazo[5,1-f][1,2,4]triazin-4-one;1-tert-butyl-2-methylpyrido[2,3-d]pyrimidin-4-one;7-tert-butyl-4-methylpyrimido[1,2-c]pyrimidine-2,6-dione;2-tert-butyl-5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-one;5-tert-butyl-3-methyltriazolo[4,5-c]pyridin-4-one;7-tert-butylpurin-8-amine
CID 161087819
CID 162271400
CID 162271400

Frequently Asked Questions

What is the IUPAC name of 8-amino-2-methyl-1,7-dihydropurin-6-one;8-amino-3H-pyrido[3,4-d]pyrimidin-4-one;2-amino-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one;5-amino-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one;2-amino-7-(trifluoromethyl)-3H-imidazo[5,1-f][1,2,4]triazin-4-one;1-tert-butyl-2,5-dimethylpyrido[2,3-d]pyrimidin-4-one;3-tert-butylimidazo[4,5-b]pyrazin-2-amine;1-tert-butyl-2-methylpyrido[2,3-d]pyrimidin-4-one;2-tert-butyl-5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-one;7-tert-butylpurin-8-amine;2,8-dimethyl-1,7-dihydropurin-6-one;2,5-dimethyl-3,7-dihydropyrrolo[3,2-d]pyrimidine-4,6-dione;2,7-dimethyl-1H-purin-6-one;3-methyl-7,7a-dihydro-3aH-imidazo[4,5-c]pyridine-4,6-dione;1-methyl-6H-[1,3]oxazolo[5,4-d]pyrimidine-2,7-dione;tridecakis(2-methylpropane);3-methyl-5H-triazolo[4,5-c]pyridin-4-one;1-methyl-6H-triazolo[4,5-d]pyridazin-7-one;3,5,6,8-tetrahydroquinazoline-4,7-dione?
The IUPAC name of 8-amino-2-methyl-1,7-dihydropurin-6-one;8-amino-3H-pyrido[3,4-d]pyrimidin-4-one;2-amino-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one;5-amino-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one;2-amino-7-(trifluoromethyl)-3H-imidazo[5,1-f][1,2,4]triazin-4-one;1-tert-butyl-2,5-dimethylpyrido[2,3-d]pyrimidin-4-one;3-tert-butylimidazo[4,5-b]pyrazin-2-amine;1-tert-butyl-2-methylpyrido[2,3-d]pyrimidin-4-one;2-tert-butyl-5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-one;7-tert-butylpurin-8-amine;2,8-dimethyl-1,7-dihydropurin-6-one;2,5-dimethyl-3,7-dihydropyrrolo[3,2-d]pyrimidine-4,6-dione;2,7-dimethyl-1H-purin-6-one;3-methyl-7,7a-dihydro-3aH-imidazo[4,5-c]pyridine-4,6-dione;1-methyl-6H-[1,3]oxazolo[5,4-d]pyrimidine-2,7-dione;tridecakis(2-methylpropane);3-methyl-5H-triazolo[4,5-c]pyridin-4-one;1-methyl-6H-triazolo[4,5-d]pyridazin-7-one;3,5,6,8-tetrahydroquinazoline-4,7-dione (CID 159305573) is 8-amino-2-methyl-1,7-dihydropurin-6-one;8-amino-3H-pyrido[3,4-d]pyrimidin-4-one;2-amino-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one;5-amino-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one;2-amino-7-(trifluoromethyl)-3H-imidazo[5,1-f][1,2,4]triazin-4-one;1-tert-butyl-2,5-dimethylpyrido[2,3-d]pyrimidin-4-one;3-tert-butylimidazo[4,5-b]pyrazin-2-amine;1-tert-butyl-2-methylpyrido[2,3-d]pyrimidin-4-one;2-tert-butyl-5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-one;7-tert-butylpurin-8-amine;2,8-dimethyl-1,7-dihydropurin-6-one;2,5-dimethyl-3,7-dihydropyrrolo[3,2-d]pyrimidine-4,6-dione;2,7-dimethyl-1H-purin-6-one;3-methyl-7,7a-dihydro-3aH-imidazo[4,5-c]pyridine-4,6-dione;1-methyl-6H-[1,3]oxazolo[5,4-d]pyrimidine-2,7-dione;tridecakis(2-methylpropane);3-methyl-5H-triazolo[4,5-c]pyridin-4-one;1-methyl-6H-triazolo[4,5-d]pyridazin-7-one;3,5,6,8-tetrahydroquinazoline-4,7-dione.
What is the SMILES notation for 8-amino-2-methyl-1,7-dihydropurin-6-one;8-amino-3H-pyrido[3,4-d]pyrimidin-4-one;2-amino-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one;5-amino-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one;2-amino-7-(trifluoromethyl)-3H-imidazo[5,1-f][1,2,4]triazin-4-one;1-tert-butyl-2,5-dimethylpyrido[2,3-d]pyrimidin-4-one;3-tert-butylimidazo[4,5-b]pyrazin-2-amine;1-tert-butyl-2-methylpyrido[2,3-d]pyrimidin-4-one;2-tert-butyl-5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-one;7-tert-butylpurin-8-amine;2,8-dimethyl-1,7-dihydropurin-6-one;2,5-dimethyl-3,7-dihydropyrrolo[3,2-d]pyrimidine-4,6-dione;2,7-dimethyl-1H-purin-6-one;3-methyl-7,7a-dihydro-3aH-imidazo[4,5-c]pyridine-4,6-dione;1-methyl-6H-[1,3]oxazolo[5,4-d]pyrimidine-2,7-dione;tridecakis(2-methylpropane);3-methyl-5H-triazolo[4,5-c]pyridin-4-one;1-methyl-6H-triazolo[4,5-d]pyridazin-7-one;3,5,6,8-tetrahydroquinazoline-4,7-dione?
The canonical SMILES for 8-amino-2-methyl-1,7-dihydropurin-6-one;8-amino-3H-pyrido[3,4-d]pyrimidin-4-one;2-amino-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one;5-amino-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one;2-amino-7-(trifluoromethyl)-3H-imidazo[5,1-f][1,2,4]triazin-4-one;1-tert-butyl-2,5-dimethylpyrido[2,3-d]pyrimidin-4-one;3-tert-butylimidazo[4,5-b]pyrazin-2-amine;1-tert-butyl-2-methylpyrido[2,3-d]pyrimidin-4-one;2-tert-butyl-5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-one;7-tert-butylpurin-8-amine;2,8-dimethyl-1,7-dihydropurin-6-one;2,5-dimethyl-3,7-dihydropyrrolo[3,2-d]pyrimidine-4,6-dione;2,7-dimethyl-1H-purin-6-one;3-methyl-7,7a-dihydro-3aH-imidazo[4,5-c]pyridine-4,6-dione;1-methyl-6H-[1,3]oxazolo[5,4-d]pyrimidine-2,7-dione;tridecakis(2-methylpropane);3-methyl-5H-triazolo[4,5-c]pyridin-4-one;1-methyl-6H-triazolo[4,5-d]pyridazin-7-one;3,5,6,8-tetrahydroquinazoline-4,7-dione is CC(C)(C)n1c(N)nc2nccnc21.CC(C)(C)n1c(N)nc2ncncc21.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CN1C=NC2CC(=O)NC(=O)C21.Cc1cccc2nn(C(C)(C)C)c(=O)n12.Cc1ccnc2c1c(=O)nc(C)n2C(C)(C)C.Cc1nc(=O)c2cccnc2n1C(C)(C)C.Cc1nc2c(c(=O)[nH]1)N(C)C(=O)C2.Cc1nc2nc(C)[nH]c2c(=O)[nH]1.Cc1nc2nc(N)[nH]c2c(=O)[nH]1.Cc1nc2ncn(C)c2c(=O)[nH]1.Cn1c(=O)oc2nc[nH]c(=O)c21.Cn1nnc2cc[nH]c(=O)c21.Cn1nnc2cn[nH]c(=O)c21.Nc1nc2nc[nH]c(=O)c2s1.Nc1nc2ncsc2c(=O)[nH]1.Nc1nccc2c(=O)[nH]cnc12.Nc1nn2c(C(F)(F)F)ncc2c(=O)[nH]1.O=C1CCc2c(nc[nH]c2=O)C1.
What is the InChIKey of 8-amino-2-methyl-1,7-dihydropurin-6-one;8-amino-3H-pyrido[3,4-d]pyrimidin-4-one;2-amino-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one;5-amino-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one;2-amino-7-(trifluoromethyl)-3H-imidazo[5,1-f][1,2,4]triazin-4-one;1-tert-butyl-2,5-dimethylpyrido[2,3-d]pyrimidin-4-one;3-tert-butylimidazo[4,5-b]pyrazin-2-amine;1-tert-butyl-2-methylpyrido[2,3-d]pyrimidin-4-one;2-tert-butyl-5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-one;7-tert-butylpurin-8-amine;2,8-dimethyl-1,7-dihydropurin-6-one;2,5-dimethyl-3,7-dihydropyrrolo[3,2-d]pyrimidine-4,6-dione;2,7-dimethyl-1H-purin-6-one;3-methyl-7,7a-dihydro-3aH-imidazo[4,5-c]pyridine-4,6-dione;1-methyl-6H-[1,3]oxazolo[5,4-d]pyrimidine-2,7-dione;tridecakis(2-methylpropane);3-methyl-5H-triazolo[4,5-c]pyridin-4-one;1-methyl-6H-triazolo[4,5-d]pyridazin-7-one;3,5,6,8-tetrahydroquinazoline-4,7-dione?
The InChIKey is LBWKXDVIMOZJJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O.C12H15N3O.C11H15N3O.2C9H13N5.C8H9N3O2.C8H8N2O2.2C7H8N4O.C7H6N4O.C7H9N3O2.C6H4F3N5O.C6H7N5O.C6H6N4O.C6H5N3O3.C5H5N5O.2C5H4N4OS.13C4H10/c1-8-6-7-14-11-10(8)12(17)15-9(2)16(11)13(3,4)5;1-8-14-11(16)9-6-5-7-13-10(9)15(8)12(2,3)4;1-8-6-5-7-9-12-14(11(2,3)4)10(15)13(8)9;1-9(2,3)14-6-4-11-5-12-7(6)13-8(14)10;1-9(2,3)14-7-6(13-8(14)10)11-4-5-12-7;1-4-9-5-3-6(12)11(2)7(5)8(13)10-4;11-5-1-2-6-7(3-5)9-4-10-8(6)12;1-4-9-6-5(7(12)10-4)11(2)3-8-6;1-3-8-5-6(9-3)10-4(2)11-7(5)12;8-6-5-4(1-2-9-6)7(12)11-3-10-5;1-10-3-8-4-2-5(11)9-7(12)6(4)10;7-6(8,9)4-11-1-2-3(15)12-5(10)13-14(2)4;1-2-8-4-3(5(12)9-2)10-6(7)11-4;1-10-5-4(8-9-10)2-3-7-6(5)11;1-9-3-4(10)7-2-8-5(3)12-6(9)11;1-10-4-3(7-9-10)2-6-8-5(4)11;6-5-8-3-2(4(10)9-5)11-1-7-3;6-5-9-3-2(11-5)4(10)8-1-7-3;13*1-4(2)3/h6-7H,1-5H3;5-7H,1-4H3;5-7H,1-4H3;4-5H,1-3H3,(H2,10,11,12,13);4-5H,1-3H3,(H2,10,11,13);3H2,1-2H3,(H,9,10,13);4H,1-3H2,(H,9,10,12);3H,1-2H3,(H,9,10,12);1-2H3,(H2,8,9,10,11,12);1-3H,(H2,8,9)(H,10,11,12);3-4,6H,2H2,1H3,(H,9,11,12);1H,(H3,10,12,13,15);1H3,(H4,7,8,9,10,11,12);2-3H,1H3,(H,7,11);2H,1H3,(H,7,8,10);2H,1H3,(H,8,11);1H,(H3,6,8,9,10);1H,(H3,6,7,8,9,10);13*4H,1-3H3.
What are the key properties of 8-amino-2-methyl-1,7-dihydropurin-6-one;8-amino-3H-pyrido[3,4-d]pyrimidin-4-one;2-amino-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one;5-amino-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one;2-amino-7-(trifluoromethyl)-3H-imidazo[5,1-f][1,2,4]triazin-4-one;1-tert-butyl-2,5-dimethylpyrido[2,3-d]pyrimidin-4-one;3-tert-butylimidazo[4,5-b]pyrazin-2-amine;1-tert-butyl-2-methylpyrido[2,3-d]pyrimidin-4-one;2-tert-butyl-5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-one;7-tert-butylpurin-8-amine;2,8-dimethyl-1,7-dihydropurin-6-one;2,5-dimethyl-3,7-dihydropyrrolo[3,2-d]pyrimidine-4,6-dione;2,7-dimethyl-1H-purin-6-one;3-methyl-7,7a-dihydro-3aH-imidazo[4,5-c]pyridine-4,6-dione;1-methyl-6H-[1,3]oxazolo[5,4-d]pyrimidine-2,7-dione;tridecakis(2-methylpropane);3-methyl-5H-triazolo[4,5-c]pyridin-4-one;1-methyl-6H-triazolo[4,5-d]pyridazin-7-one;3,5,6,8-tetrahydroquinazoline-4,7-dione?
8-amino-2-methyl-1,7-dihydropurin-6-one;8-amino-3H-pyrido[3,4-d]pyrimidin-4-one;2-amino-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one;5-amino-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one;2-amino-7-(trifluoromethyl)-3H-imidazo[5,1-f][1,2,4]triazin-4-one;1-tert-butyl-2,5-dimethylpyrido[2,3-d]pyrimidin-4-one;3-tert-butylimidazo[4,5-b]pyrazin-2-amine;1-tert-butyl-2-methylpyrido[2,3-d]pyrimidin-4-one;2-tert-butyl-5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-one;7-tert-butylpurin-8-amine;2,8-dimethyl-1,7-dihydropurin-6-one;2,5-dimethyl-3,7-dihydropyrrolo[3,2-d]pyrimidine-4,6-dione;2,7-dimethyl-1H-purin-6-one;3-methyl-7,7a-dihydro-3aH-imidazo[4,5-c]pyridine-4,6-dione;1-methyl-6H-[1,3]oxazolo[5,4-d]pyrimidine-2,7-dione;tridecakis(2-methylpropane);3-methyl-5H-triazolo[4,5-c]pyridin-4-one;1-methyl-6H-triazolo[4,5-d]pyridazin-7-one;3,5,6,8-tetrahydroquinazoline-4,7-dione has a molecular weight of 3981.96 g/mol, XLogP of 25.21, 0 rotatable bonds, 22 hydrogen bond donors, and 76 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-2-methyl-1,7-dihydropurin-6-one;8-amino-3H-pyrido[3,4-d]pyrimidin-4-one;2-amino-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one;5-amino-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one;2-amino-7-(trifluoromethyl)-3H-imidazo[5,1-f][1,2,4]triazin-4-one;1-tert-butyl-2,5-dimethylpyrido[2,3-d]pyrimidin-4-one;3-tert-butylimidazo[4,5-b]pyrazin-2-amine;1-tert-butyl-2-methylpyrido[2,3-d]pyrimidin-4-one;2-tert-butyl-5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-one;7-tert-butylpurin-8-amine;2,8-dimethyl-1,7-dihydropurin-6-one;2,5-dimethyl-3,7-dihydropyrrolo[3,2-d]pyrimidine-4,6-dione;2,7-dimethyl-1H-purin-6-one;3-methyl-7,7a-dihydro-3aH-imidazo[4,5-c]pyridine-4,6-dione;1-methyl-6H-[1,3]oxazolo[5,4-d]pyrimidine-2,7-dione;tridecakis(2-methylpropane);3-methyl-5H-triazolo[4,5-c]pyridin-4-one;1-methyl-6H-triazolo[4,5-d]pyridazin-7-one;3,5,6,8-tetrahydroquinazoline-4,7-dione is sourced from PubChem (CID 159305573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).