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;3-tert-butyl-7-chloro-5-methylimidazo[5,1-f][1,2,4]triazin-4-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;3-tert-butyl-2,5-dimethyl-7H-pyrrolo[3,2-d]pyrimidine-4,6-dione;6-tert-butyl-1,5-dimethyltriazolo[4,5-d]pyrimidin-7-one;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-(4-methylpiperazin-1-yl)imidazo[5,1-f][1,2,4]triazin-4-one;3-tert-butyl-5-methyl-7-morpholin-4-ylimidazo[5,1-f][1,2,4]triazin-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

C178H250Cl2N64O19S — CID 158072664

IUPAC8-amino-3-tert-butylpyrido[3,4-d]pyrimidin-4-one;2-amino-6-tert-butyl-[1,3]thiazolo[4,5-d]pyrimidin-7-one;3-tert-butyl-7-chloro-5-methylimidazo[5,1-f][1,2,4]triazin-4-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;3-tert-butyl-2,5-dimethyl-7H-pyrrolo[3,2-d]pyrimidine-4,6-dione;6-tert-butyl-1,5-dimethyltriazolo[4,5-d]pyrimidin-7-one;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-(4-methylpiperazin-1-yl)imidazo[5,1-f][1,2,4]triazin-4-one;3-tert-butyl-5-methyl-7-morpholin-4-ylimidazo[5,1-f][1,2,4]triazin-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
SMILESCC(C)(C)n1c(N)nc2nccnc21.CC(C)(C)n1c(N)nc2ncncc21.CC(C)(C)n1cnc2c(N)nccc2c1=O.CC(C)(C)n1cnc2c(c1=O)CCC(=O)C2.CC(C)(C)n1cnc2nc(N)sc2c1=O.CC(C)(C)n1cnc2nccc(Cl)c2c1=O.CN1C=NC2CC(=O)N(C(C)(C)C)C(=O)C21.Cc1cc(=O)nc2ccn(C(C)(C)C)c(=O)n12.Cc1cccc2nn(C(C)(C)C)c(=O)n12.Cc1nc(Cl)n2ncn(C(C)(C)C)c(=O)c12.Cc1nc(N(C)C)n2ncn(C(C)(C)C)c(=O)c12.Cc1nc(N2CCN(C)CC2)n2ncn(C(C)(C)C)c(=O)c12.Cc1nc(N2CCOCC2)n2ncn(C(C)(C)C)c(=O)c12.Cc1nc2c(c(=O)n1C(C)(C)C)N(C)C(=O)C2.Cc1nc2nnn(C)c2c(=O)n1C(C)(C)C.Cn1nnc2ccn(C(C)(C)C)c(=O)c21
InChIInChI=1S/C15H24N6O.C14H21N5O2.C12H19N5O.C12H17N3O2.C12H15N3O2.C12H16N2O2.C11H12ClN3O.C11H14N4O.C11H17N3O2.C11H15N3O.C10H13ClN4O.C10H15N5O.C10H14N4O.2C9H13N5.C9H12N4OS/c1-11-12-13(22)20(15(2,3)4)10-16-21(12)14(17-11)19-8-6-18(5)7-9-19;1-10-11-12(20)18(14(2,3)4)9-15-19(11)13(16-10)17-5-7-21-8-6-17;1-8-9-10(18)16(12(2,3)4)7-13-17(9)11(14-8)15(5)6;1-7-13-8-6-9(16)14(5)10(8)11(17)15(7)12(2,3)4;1-8-7-10(16)13-9-5-6-14(12(2,3)4)11(17)15(8)9;1-12(2,3)14-7-13-10-6-8(15)4-5-9(10)11(14)16;1-11(2,3)15-6-14-9-8(10(15)16)7(12)4-5-13-9;1-11(2,3)15-6-14-8-7(10(15)16)4-5-13-9(8)12;1-11(2,3)14-8(15)5-7-9(10(14)16)13(4)6-12-7;1-8-6-5-7-9-12-14(11(2,3)4)10(15)13(8)9;1-6-7-8(16)14(10(2,3)4)5-12-15(7)9(11)13-6;1-6-11-8-7(14(5)13-12-8)9(16)15(6)10(2,3)4;1-10(2,3)14-6-5-7-8(9(14)15)13(4)12-11-7;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;1-9(2,3)13-4-11-6-5(7(13)14)15-8(10)12-6/h10H,6-9H2,1-5H3;9H,5-8H2,1-4H3;7H,1-6H3;6H2,1-5H3;5-7H,1-4H3;7H,4-6H2,1-3H3;4-6H,1-3H3;4-6H,1-3H3,(H2,12,13);6-7,9H,5H2,1-4H3;5-7H,1-4H3;5H,1-4H3;1-5H3;5-6H,1-4H3;4-5H,1-3H3,(H2,10,11,12,13);4-5H,1-3H3,(H2,10,11,13);4H,1-3H3,(H2,10,12)
InChIKeyFLZQWOBXBXMXNZ-UHFFFAOYSA-N
MW3693.36 g/mol
LogP17.06
Rot. Bonds3

About 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;3-tert-butyl-7-chloro-5-methylimidazo[5,1-f][1,2,4]triazin-4-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;3-tert-butyl-2,5-dimethyl-7H-pyrrolo[3,2-d]pyrimidine-4,6-dione;6-tert-butyl-1,5-dimethyltriazolo[4,5-d]pyrimidin-7-one;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-(4-methylpiperazin-1-yl)imidazo[5,1-f][1,2,4]triazin-4-one;3-tert-butyl-5-methyl-7-morpholin-4-ylimidazo[5,1-f][1,2,4]triazin-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

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;3-tert-butyl-7-chloro-5-methylimidazo[5,1-f][1,2,4]triazin-4-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;3-tert-butyl-2,5-dimethyl-7H-pyrrolo[3,2-d]pyrimidine-4,6-dione;6-tert-butyl-1,5-dimethyltriazolo[4,5-d]pyrimidin-7-one;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-(4-methylpiperazin-1-yl)imidazo[5,1-f][1,2,4]triazin-4-one;3-tert-butyl-5-methyl-7-morpholin-4-ylimidazo[5,1-f][1,2,4]triazin-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 (PubChem CID 158072664) has the molecular formula C178H250Cl2N64O19S and a molecular weight of 3693.36 g/mol. Its IUPAC name is 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;3-tert-butyl-7-chloro-5-methylimidazo[5,1-f][1,2,4]triazin-4-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;3-tert-butyl-2,5-dimethyl-7H-pyrrolo[3,2-d]pyrimidine-4,6-dione;6-tert-butyl-1,5-dimethyltriazolo[4,5-d]pyrimidin-7-one;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-(4-methylpiperazin-1-yl)imidazo[5,1-f][1,2,4]triazin-4-one;3-tert-butyl-5-methyl-7-morpholin-4-ylimidazo[5,1-f][1,2,4]triazin-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.

Molecular Properties

Compound Name8-amino-3-tert-butylpyrido[3,4-d]pyrimidin-4-one;2-amino-6-tert-butyl-[1,3]thiazolo[4,5-d]pyrimidin-7-one;3-tert-butyl-7-chloro-5-methylimidazo[5,1-f][1,2,4]triazin-4-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;3-tert-butyl-2,5-dimethyl-7H-pyrrolo[3,2-d]pyrimidine-4,6-dione;6-tert-butyl-1,5-dimethyltriazolo[4,5-d]pyrimidin-7-one;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-(4-methylpiperazin-1-yl)imidazo[5,1-f][1,2,4]triazin-4-one;3-tert-butyl-5-methyl-7-morpholin-4-ylimidazo[5,1-f][1,2,4]triazin-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
PubChem CID158072664
Molecular FormulaC178H250Cl2N64O19S
Molecular Weight3693.36 g/mol
Exact Mass3689.97
IUPAC Name8-amino-3-tert-butylpyrido[3,4-d]pyrimidin-4-one;2-amino-6-tert-butyl-[1,3]thiazolo[4,5-d]pyrimidin-7-one;3-tert-butyl-7-chloro-5-methylimidazo[5,1-f][1,2,4]triazin-4-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;3-tert-butyl-2,5-dimethyl-7H-pyrrolo[3,2-d]pyrimidine-4,6-dione;6-tert-butyl-1,5-dimethyltriazolo[4,5-d]pyrimidin-7-one;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-(4-methylpiperazin-1-yl)imidazo[5,1-f][1,2,4]triazin-4-one;3-tert-butyl-5-methyl-7-morpholin-4-ylimidazo[5,1-f][1,2,4]triazin-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
SMILESCC(C)(C)n1c(N)nc2nccnc21.CC(C)(C)n1c(N)nc2ncncc21.CC(C)(C)n1cnc2c(N)nccc2c1=O.CC(C)(C)n1cnc2c(c1=O)CCC(=O)C2.CC(C)(C)n1cnc2nc(N)sc2c1=O.CC(C)(C)n1cnc2nccc(Cl)c2c1=O.CN1C=NC2CC(=O)N(C(C)(C)C)C(=O)C21.Cc1cc(=O)nc2ccn(C(C)(C)C)c(=O)n12.Cc1cccc2nn(C(C)(C)C)c(=O)n12.Cc1nc(Cl)n2ncn(C(C)(C)C)c(=O)c12.Cc1nc(N(C)C)n2ncn(C(C)(C)C)c(=O)c12.Cc1nc(N2CCN(C)CC2)n2ncn(C(C)(C)C)c(=O)c12.Cc1nc(N2CCOCC2)n2ncn(C(C)(C)C)c(=O)c12.Cc1nc2c(c(=O)n1C(C)(C)C)N(C)C(=O)C2.Cc1nc2nnn(C)c2c(=O)n1C(C)(C)C.Cn1nnc2ccn(C(C)(C)C)c(=O)c21
InChIInChI=1S/C15H24N6O.C14H21N5O2.C12H19N5O.C12H17N3O2.C12H15N3O2.C12H16N2O2.C11H12ClN3O.C11H14N4O.C11H17N3O2.C11H15N3O.C10H13ClN4O.C10H15N5O.C10H14N4O.2C9H13N5.C9H12N4OS/c1-11-12-13(22)20(15(2,3)4)10-16-21(12)14(17-11)19-8-6-18(5)7-9-19;1-10-11-12(20)18(14(2,3)4)9-15-19(11)13(16-10)17-5-7-21-8-6-17;1-8-9-10(18)16(12(2,3)4)7-13-17(9)11(14-8)15(5)6;1-7-13-8-6-9(16)14(5)10(8)11(17)15(7)12(2,3)4;1-8-7-10(16)13-9-5-6-14(12(2,3)4)11(17)15(8)9;1-12(2,3)14-7-13-10-6-8(15)4-5-9(10)11(14)16;1-11(2,3)15-6-14-9-8(10(15)16)7(12)4-5-13-9;1-11(2,3)15-6-14-8-7(10(15)16)4-5-13-9(8)12;1-11(2,3)14-8(15)5-7-9(10(14)16)13(4)6-12-7;1-8-6-5-7-9-12-14(11(2,3)4)10(15)13(8)9;1-6-7-8(16)14(10(2,3)4)5-12-15(7)9(11)13-6;1-6-11-8-7(14(5)13-12-8)9(16)15(6)10(2,3)4;1-10(2,3)14-6-5-7-8(9(14)15)13(4)12-11-7;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;1-9(2,3)13-4-11-6-5(7(13)14)15-8(10)12-6/h10H,6-9H2,1-5H3;9H,5-8H2,1-4H3;7H,1-6H3;6H2,1-5H3;5-7H,1-4H3;7H,4-6H2,1-3H3;4-6H,1-3H3;4-6H,1-3H3,(H2,12,13);6-7,9H,5H2,1-4H3;5-7H,1-4H3;5H,1-4H3;1-5H3;5-6H,1-4H3;4-5H,1-3H3,(H2,10,11,12,13);4-5H,1-3H3,(H2,10,11,13);4H,1-3H3,(H2,10,12)
InChIKeyFLZQWOBXBXMXNZ-UHFFFAOYSA-N
XLogP17.06
TPSA939.69 Ų
H-Bond Donors4
H-Bond Acceptors82
Rotatable Bonds3
Heavy Atoms264
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003693.36
LogP ≤ 517.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1082

Analyze 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;3-tert-butyl-7-chloro-5-methylimidazo[5,1-f][1,2,4]triazin-4-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;3-tert-butyl-2,5-dimethyl-7H-pyrrolo[3,2-d]pyrimidine-4,6-dione;6-tert-butyl-1,5-dimethyltriazolo[4,5-d]pyrimidin-7-one;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-(4-methylpiperazin-1-yl)imidazo[5,1-f][1,2,4]triazin-4-one;3-tert-butyl-5-methyl-7-morpholin-4-ylimidazo[5,1-f][1,2,4]triazin-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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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;3-tert-butyl-7-chloro-5-methylimidazo[5,1-f][1,2,4]triazin-4-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;3-tert-butyl-2,5-dimethyl-7H-pyrrolo[3,2-d]pyrimidine-4,6-dione;6-tert-butyl-1,5-dimethyltriazolo[4,5-d]pyrimidin-7-one;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-(4-methylpiperazin-1-yl)imidazo[5,1-f][1,2,4]triazin-4-one;3-tert-butyl-5-methyl-7-morpholin-4-ylimidazo[5,1-f][1,2,4]triazin-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?
The IUPAC name of 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;3-tert-butyl-7-chloro-5-methylimidazo[5,1-f][1,2,4]triazin-4-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;3-tert-butyl-2,5-dimethyl-7H-pyrrolo[3,2-d]pyrimidine-4,6-dione;6-tert-butyl-1,5-dimethyltriazolo[4,5-d]pyrimidin-7-one;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-(4-methylpiperazin-1-yl)imidazo[5,1-f][1,2,4]triazin-4-one;3-tert-butyl-5-methyl-7-morpholin-4-ylimidazo[5,1-f][1,2,4]triazin-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 158072664) is 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;3-tert-butyl-7-chloro-5-methylimidazo[5,1-f][1,2,4]triazin-4-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;3-tert-butyl-2,5-dimethyl-7H-pyrrolo[3,2-d]pyrimidine-4,6-dione;6-tert-butyl-1,5-dimethyltriazolo[4,5-d]pyrimidin-7-one;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-(4-methylpiperazin-1-yl)imidazo[5,1-f][1,2,4]triazin-4-one;3-tert-butyl-5-methyl-7-morpholin-4-ylimidazo[5,1-f][1,2,4]triazin-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.
What is the SMILES notation for 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;3-tert-butyl-7-chloro-5-methylimidazo[5,1-f][1,2,4]triazin-4-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;3-tert-butyl-2,5-dimethyl-7H-pyrrolo[3,2-d]pyrimidine-4,6-dione;6-tert-butyl-1,5-dimethyltriazolo[4,5-d]pyrimidin-7-one;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-(4-methylpiperazin-1-yl)imidazo[5,1-f][1,2,4]triazin-4-one;3-tert-butyl-5-methyl-7-morpholin-4-ylimidazo[5,1-f][1,2,4]triazin-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?
The canonical SMILES for 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;3-tert-butyl-7-chloro-5-methylimidazo[5,1-f][1,2,4]triazin-4-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;3-tert-butyl-2,5-dimethyl-7H-pyrrolo[3,2-d]pyrimidine-4,6-dione;6-tert-butyl-1,5-dimethyltriazolo[4,5-d]pyrimidin-7-one;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-(4-methylpiperazin-1-yl)imidazo[5,1-f][1,2,4]triazin-4-one;3-tert-butyl-5-methyl-7-morpholin-4-ylimidazo[5,1-f][1,2,4]triazin-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 is CC(C)(C)n1c(N)nc2nccnc21.CC(C)(C)n1c(N)nc2ncncc21.CC(C)(C)n1cnc2c(N)nccc2c1=O.CC(C)(C)n1cnc2c(c1=O)CCC(=O)C2.CC(C)(C)n1cnc2nc(N)sc2c1=O.CC(C)(C)n1cnc2nccc(Cl)c2c1=O.CN1C=NC2CC(=O)N(C(C)(C)C)C(=O)C21.Cc1cc(=O)nc2ccn(C(C)(C)C)c(=O)n12.Cc1cccc2nn(C(C)(C)C)c(=O)n12.Cc1nc(Cl)n2ncn(C(C)(C)C)c(=O)c12.Cc1nc(N(C)C)n2ncn(C(C)(C)C)c(=O)c12.Cc1nc(N2CCN(C)CC2)n2ncn(C(C)(C)C)c(=O)c12.Cc1nc(N2CCOCC2)n2ncn(C(C)(C)C)c(=O)c12.Cc1nc2c(c(=O)n1C(C)(C)C)N(C)C(=O)C2.Cc1nc2nnn(C)c2c(=O)n1C(C)(C)C.Cn1nnc2ccn(C(C)(C)C)c(=O)c21.
What is the InChIKey of 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;3-tert-butyl-7-chloro-5-methylimidazo[5,1-f][1,2,4]triazin-4-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;3-tert-butyl-2,5-dimethyl-7H-pyrrolo[3,2-d]pyrimidine-4,6-dione;6-tert-butyl-1,5-dimethyltriazolo[4,5-d]pyrimidin-7-one;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-(4-methylpiperazin-1-yl)imidazo[5,1-f][1,2,4]triazin-4-one;3-tert-butyl-5-methyl-7-morpholin-4-ylimidazo[5,1-f][1,2,4]triazin-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?
The InChIKey is FLZQWOBXBXMXNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N6O.C14H21N5O2.C12H19N5O.C12H17N3O2.C12H15N3O2.C12H16N2O2.C11H12ClN3O.C11H14N4O.C11H17N3O2.C11H15N3O.C10H13ClN4O.C10H15N5O.C10H14N4O.2C9H13N5.C9H12N4OS/c1-11-12-13(22)20(15(2,3)4)10-16-21(12)14(17-11)19-8-6-18(5)7-9-19;1-10-11-12(20)18(14(2,3)4)9-15-19(11)13(16-10)17-5-7-21-8-6-17;1-8-9-10(18)16(12(2,3)4)7-13-17(9)11(14-8)15(5)6;1-7-13-8-6-9(16)14(5)10(8)11(17)15(7)12(2,3)4;1-8-7-10(16)13-9-5-6-14(12(2,3)4)11(17)15(8)9;1-12(2,3)14-7-13-10-6-8(15)4-5-9(10)11(14)16;1-11(2,3)15-6-14-9-8(10(15)16)7(12)4-5-13-9;1-11(2,3)15-6-14-8-7(10(15)16)4-5-13-9(8)12;1-11(2,3)14-8(15)5-7-9(10(14)16)13(4)6-12-7;1-8-6-5-7-9-12-14(11(2,3)4)10(15)13(8)9;1-6-7-8(16)14(10(2,3)4)5-12-15(7)9(11)13-6;1-6-11-8-7(14(5)13-12-8)9(16)15(6)10(2,3)4;1-10(2,3)14-6-5-7-8(9(14)15)13(4)12-11-7;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;1-9(2,3)13-4-11-6-5(7(13)14)15-8(10)12-6/h10H,6-9H2,1-5H3;9H,5-8H2,1-4H3;7H,1-6H3;6H2,1-5H3;5-7H,1-4H3;7H,4-6H2,1-3H3;4-6H,1-3H3;4-6H,1-3H3,(H2,12,13);6-7,9H,5H2,1-4H3;5-7H,1-4H3;5H,1-4H3;1-5H3;5-6H,1-4H3;4-5H,1-3H3,(H2,10,11,12,13);4-5H,1-3H3,(H2,10,11,13);4H,1-3H3,(H2,10,12).
What are the key properties of 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;3-tert-butyl-7-chloro-5-methylimidazo[5,1-f][1,2,4]triazin-4-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;3-tert-butyl-2,5-dimethyl-7H-pyrrolo[3,2-d]pyrimidine-4,6-dione;6-tert-butyl-1,5-dimethyltriazolo[4,5-d]pyrimidin-7-one;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-(4-methylpiperazin-1-yl)imidazo[5,1-f][1,2,4]triazin-4-one;3-tert-butyl-5-methyl-7-morpholin-4-ylimidazo[5,1-f][1,2,4]triazin-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?
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;3-tert-butyl-7-chloro-5-methylimidazo[5,1-f][1,2,4]triazin-4-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;3-tert-butyl-2,5-dimethyl-7H-pyrrolo[3,2-d]pyrimidine-4,6-dione;6-tert-butyl-1,5-dimethyltriazolo[4,5-d]pyrimidin-7-one;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-(4-methylpiperazin-1-yl)imidazo[5,1-f][1,2,4]triazin-4-one;3-tert-butyl-5-methyl-7-morpholin-4-ylimidazo[5,1-f][1,2,4]triazin-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 has a molecular weight of 3693.36 g/mol, XLogP of 17.06, 3 rotatable bonds, 4 hydrogen bond donors, and 82 hydrogen bond acceptors.
Where does this data come from?
All data for 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;3-tert-butyl-7-chloro-5-methylimidazo[5,1-f][1,2,4]triazin-4-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;3-tert-butyl-2,5-dimethyl-7H-pyrrolo[3,2-d]pyrimidine-4,6-dione;6-tert-butyl-1,5-dimethyltriazolo[4,5-d]pyrimidin-7-one;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-(4-methylpiperazin-1-yl)imidazo[5,1-f][1,2,4]triazin-4-one;3-tert-butyl-5-methyl-7-morpholin-4-ylimidazo[5,1-f][1,2,4]triazin-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 is sourced from PubChem (CID 158072664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).