(6S)-2-amino-5-(1-benzofuran-5-yl)-3,6-dimethyl-6-(4-quinoxalin-2-ylthiophen-2-yl)-5H-pyrimidin-4-one;2-amino-5-(5-bromo-2-fluorophenyl)-3,5-dimethylimidazol-4-one;5-[3-[(4R)-2-amino-4-cyclopropyl-1-methyl-5-oxoimidazol-4-yl]phenyl]-2-fluorobenzonitrile;5-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-4-methylthiophen-3-yl]-2-fluorobenzonitrile;(6S)-2-amino-3,6-dimethyl-6-[1-(pyridine-2-carbonyl)piperidin-3-yl]-5H-pyrimidin-4-one

C92H89BrF3N21O7S2 — CID 159386207

IUPAC(6S)-2-amino-5-(1-benzofuran-5-yl)-3,6-dimethyl-6-(4-quinoxalin-2-ylthiophen-2-yl)-5H-pyrimidin-4-one;2-amino-5-(5-bromo-2-fluorophenyl)-3,5-dimethylimidazol-4-one;5-[3-[(4R)-2-amino-4-cyclopropyl-1-methyl-5-oxoimidazol-4-yl]phenyl]-2-fluorobenzonitrile;5-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-4-methylthiophen-3-yl]-2-fluorobenzonitrile;(6S)-2-amino-3,6-dimethyl-6-[1-(pyridine-2-carbonyl)piperidin-3-yl]-5H-pyrimidin-4-one
SMILESCN1C(=O)C(C)(c2cc(Br)ccc2F)N=C1N.CN1C(=O)C(c2ccc3occc3c2)[C@@](C)(c2cc(-c3cnc4ccccc4n3)cs2)N=C1N.CN1C(=O)C[C@@](C)(C2CCCN(C(=O)c3ccccn3)C2)N=C1N.CN1C(=O)[C@](c2cccc(-c3ccc(F)c(C#N)c3)c2)(C2CC2)N=C1N.Cc1c(-c2ccc(F)c(C#N)c2)csc1[C@]1(C)CC(=O)N(C)C(N)=N1
InChIInChI=1S/C26H21N5O2S.C20H17FN4O.C18H17FN4OS.C17H23N5O2.C11H11BrFN3O/c1-26(22-12-17(14-34-22)20-13-28-18-5-3-4-6-19(18)29-20)23(24(32)31(2)25(27)30-26)16-7-8-21-15(11-16)9-10-33-21;1-25-18(26)20(15-6-7-15,24-19(25)23)16-4-2-3-12(10-16)13-5-8-17(21)14(9-13)11-22;1-10-13(11-4-5-14(19)12(6-11)8-20)9-25-16(10)18(2)7-15(24)23(3)17(21)22-18;1-17(10-14(23)21(2)16(18)20-17)12-6-5-9-22(11-12)15(24)13-7-3-4-8-19-13;1-11(9(17)16(2)10(14)15-11)7-5-6(12)3-4-8(7)13/h3-14,23H,1-2H3,(H2,27,30);2-5,8-10,15H,6-7H2,1H3,(H2,23,24);4-6,9H,7H2,1-3H3,(H2,21,22);3-4,7-8,12H,5-6,9-11H2,1-2H3,(H2,18,20);3-5H,1-2H3,(H2,14,15)/t23?,26-;20-;18-;12?,17-;/m1100./s1
InChIKeyLLNHMMGXPNNPFA-PMYUPVRLSA-N
MW1801.90 g/mol
LogP13.23
Rot. Bonds11

About (6S)-2-amino-5-(1-benzofuran-5-yl)-3,6-dimethyl-6-(4-quinoxalin-2-ylthiophen-2-yl)-5H-pyrimidin-4-one;2-amino-5-(5-bromo-2-fluorophenyl)-3,5-dimethylimidazol-4-one;5-[3-[(4R)-2-amino-4-cyclopropyl-1-methyl-5-oxoimidazol-4-yl]phenyl]-2-fluorobenzonitrile;5-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-4-methylthiophen-3-yl]-2-fluorobenzonitrile;(6S)-2-amino-3,6-dimethyl-6-[1-(pyridine-2-carbonyl)piperidin-3-yl]-5H-pyrimidin-4-one

(6S)-2-amino-5-(1-benzofuran-5-yl)-3,6-dimethyl-6-(4-quinoxalin-2-ylthiophen-2-yl)-5H-pyrimidin-4-one;2-amino-5-(5-bromo-2-fluorophenyl)-3,5-dimethylimidazol-4-one;5-[3-[(4R)-2-amino-4-cyclopropyl-1-methyl-5-oxoimidazol-4-yl]phenyl]-2-fluorobenzonitrile;5-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-4-methylthiophen-3-yl]-2-fluorobenzonitrile;(6S)-2-amino-3,6-dimethyl-6-[1-(pyridine-2-carbonyl)piperidin-3-yl]-5H-pyrimidin-4-one (PubChem CID 159386207) has the molecular formula C92H89BrF3N21O7S2 and a molecular weight of 1801.90 g/mol. Its IUPAC name is (6S)-2-amino-5-(1-benzofuran-5-yl)-3,6-dimethyl-6-(4-quinoxalin-2-ylthiophen-2-yl)-5H-pyrimidin-4-one;2-amino-5-(5-bromo-2-fluorophenyl)-3,5-dimethylimidazol-4-one;5-[3-[(4R)-2-amino-4-cyclopropyl-1-methyl-5-oxoimidazol-4-yl]phenyl]-2-fluorobenzonitrile;5-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-4-methylthiophen-3-yl]-2-fluorobenzonitrile;(6S)-2-amino-3,6-dimethyl-6-[1-(pyridine-2-carbonyl)piperidin-3-yl]-5H-pyrimidin-4-one.

Molecular Properties

Compound Name(6S)-2-amino-5-(1-benzofuran-5-yl)-3,6-dimethyl-6-(4-quinoxalin-2-ylthiophen-2-yl)-5H-pyrimidin-4-one;2-amino-5-(5-bromo-2-fluorophenyl)-3,5-dimethylimidazol-4-one;5-[3-[(4R)-2-amino-4-cyclopropyl-1-methyl-5-oxoimidazol-4-yl]phenyl]-2-fluorobenzonitrile;5-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-4-methylthiophen-3-yl]-2-fluorobenzonitrile;(6S)-2-amino-3,6-dimethyl-6-[1-(pyridine-2-carbonyl)piperidin-3-yl]-5H-pyrimidin-4-one
PubChem CID159386207
Molecular FormulaC92H89BrF3N21O7S2
Molecular Weight1801.90 g/mol
Exact Mass1799.58
IUPAC Name(6S)-2-amino-5-(1-benzofuran-5-yl)-3,6-dimethyl-6-(4-quinoxalin-2-ylthiophen-2-yl)-5H-pyrimidin-4-one;2-amino-5-(5-bromo-2-fluorophenyl)-3,5-dimethylimidazol-4-one;5-[3-[(4R)-2-amino-4-cyclopropyl-1-methyl-5-oxoimidazol-4-yl]phenyl]-2-fluorobenzonitrile;5-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-4-methylthiophen-3-yl]-2-fluorobenzonitrile;(6S)-2-amino-3,6-dimethyl-6-[1-(pyridine-2-carbonyl)piperidin-3-yl]-5H-pyrimidin-4-one
SMILESCN1C(=O)C(C)(c2cc(Br)ccc2F)N=C1N.CN1C(=O)C(c2ccc3occc3c2)[C@@](C)(c2cc(-c3cnc4ccccc4n3)cs2)N=C1N.CN1C(=O)C[C@@](C)(C2CCCN(C(=O)c3ccccn3)C2)N=C1N.CN1C(=O)[C@](c2cccc(-c3ccc(F)c(C#N)c3)c2)(C2CC2)N=C1N.Cc1c(-c2ccc(F)c(C#N)c2)csc1[C@]1(C)CC(=O)N(C)C(N)=N1
InChIInChI=1S/C26H21N5O2S.C20H17FN4O.C18H17FN4OS.C17H23N5O2.C11H11BrFN3O/c1-26(22-12-17(14-34-22)20-13-28-18-5-3-4-6-19(18)29-20)23(24(32)31(2)25(27)30-26)16-7-8-21-15(11-16)9-10-33-21;1-25-18(26)20(15-6-7-15,24-19(25)23)16-4-2-3-12(10-16)13-5-8-17(21)14(9-13)11-22;1-10-13(11-4-5-14(19)12(6-11)8-20)9-25-16(10)18(2)7-15(24)23(3)17(21)22-18;1-17(10-14(23)21(2)16(18)20-17)12-6-5-9-22(11-12)15(24)13-7-3-4-8-19-13;1-11(9(17)16(2)10(14)15-11)7-5-6(12)3-4-8(7)13/h3-14,23H,1-2H3,(H2,27,30);2-5,8-10,15H,6-7H2,1H3,(H2,23,24);4-6,9H,7H2,1-3H3,(H2,21,22);3-4,7-8,12H,5-6,9-11H2,1-2H3,(H2,18,20);3-5H,1-2H3,(H2,14,15)/t23?,26-;20-;18-;12?,17-;/m1100./s1
InChIKeyLLNHMMGXPNNPFA-PMYUPVRLSA-N
XLogP13.23
TPSA413.15 Ų
H-Bond Donors5
H-Bond Acceptors24
Rotatable Bonds11
Heavy Atoms126
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001801.90
LogP ≤ 513.23
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1024

Analyze (6S)-2-amino-5-(1-benzofuran-5-yl)-3,6-dimethyl-6-(4-quinoxalin-2-ylthiophen-2-yl)-5H-pyrimidin-4-one;2-amino-5-(5-bromo-2-fluorophenyl)-3,5-dimethylimidazol-4-one;5-[3-[(4R)-2-amino-4-cyclopropyl-1-methyl-5-oxoimidazol-4-yl]phenyl]-2-fluorobenzonitrile;5-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-4-methylthiophen-3-yl]-2-fluorobenzonitrile;(6S)-2-amino-3,6-dimethyl-6-[1-(pyridine-2-carbonyl)piperidin-3-yl]-5H-pyrimidin-4-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (6S)-2-amino-5-(1-benzofuran-5-yl)-3,6-dimethyl-6-(4-quinoxalin-2-ylthiophen-2-yl)-5H-pyrimidin-4-one;2-amino-5-(5-bromo-2-fluorophenyl)-3,5-dimethylimidazol-4-one;5-[3-[(4R)-2-amino-4-cyclopropyl-1-methyl-5-oxoimidazol-4-yl]phenyl]-2-fluorobenzonitrile;5-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-4-methylthiophen-3-yl]-2-fluorobenzonitrile;(6S)-2-amino-3,6-dimethyl-6-[1-(pyridine-2-carbonyl)piperidin-3-yl]-5H-pyrimidin-4-one?
The IUPAC name of (6S)-2-amino-5-(1-benzofuran-5-yl)-3,6-dimethyl-6-(4-quinoxalin-2-ylthiophen-2-yl)-5H-pyrimidin-4-one;2-amino-5-(5-bromo-2-fluorophenyl)-3,5-dimethylimidazol-4-one;5-[3-[(4R)-2-amino-4-cyclopropyl-1-methyl-5-oxoimidazol-4-yl]phenyl]-2-fluorobenzonitrile;5-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-4-methylthiophen-3-yl]-2-fluorobenzonitrile;(6S)-2-amino-3,6-dimethyl-6-[1-(pyridine-2-carbonyl)piperidin-3-yl]-5H-pyrimidin-4-one (CID 159386207) is (6S)-2-amino-5-(1-benzofuran-5-yl)-3,6-dimethyl-6-(4-quinoxalin-2-ylthiophen-2-yl)-5H-pyrimidin-4-one;2-amino-5-(5-bromo-2-fluorophenyl)-3,5-dimethylimidazol-4-one;5-[3-[(4R)-2-amino-4-cyclopropyl-1-methyl-5-oxoimidazol-4-yl]phenyl]-2-fluorobenzonitrile;5-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-4-methylthiophen-3-yl]-2-fluorobenzonitrile;(6S)-2-amino-3,6-dimethyl-6-[1-(pyridine-2-carbonyl)piperidin-3-yl]-5H-pyrimidin-4-one.
What is the SMILES notation for (6S)-2-amino-5-(1-benzofuran-5-yl)-3,6-dimethyl-6-(4-quinoxalin-2-ylthiophen-2-yl)-5H-pyrimidin-4-one;2-amino-5-(5-bromo-2-fluorophenyl)-3,5-dimethylimidazol-4-one;5-[3-[(4R)-2-amino-4-cyclopropyl-1-methyl-5-oxoimidazol-4-yl]phenyl]-2-fluorobenzonitrile;5-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-4-methylthiophen-3-yl]-2-fluorobenzonitrile;(6S)-2-amino-3,6-dimethyl-6-[1-(pyridine-2-carbonyl)piperidin-3-yl]-5H-pyrimidin-4-one?
The canonical SMILES for (6S)-2-amino-5-(1-benzofuran-5-yl)-3,6-dimethyl-6-(4-quinoxalin-2-ylthiophen-2-yl)-5H-pyrimidin-4-one;2-amino-5-(5-bromo-2-fluorophenyl)-3,5-dimethylimidazol-4-one;5-[3-[(4R)-2-amino-4-cyclopropyl-1-methyl-5-oxoimidazol-4-yl]phenyl]-2-fluorobenzonitrile;5-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-4-methylthiophen-3-yl]-2-fluorobenzonitrile;(6S)-2-amino-3,6-dimethyl-6-[1-(pyridine-2-carbonyl)piperidin-3-yl]-5H-pyrimidin-4-one is CN1C(=O)C(C)(c2cc(Br)ccc2F)N=C1N.CN1C(=O)C(c2ccc3occc3c2)[C@@](C)(c2cc(-c3cnc4ccccc4n3)cs2)N=C1N.CN1C(=O)C[C@@](C)(C2CCCN(C(=O)c3ccccn3)C2)N=C1N.CN1C(=O)[C@](c2cccc(-c3ccc(F)c(C#N)c3)c2)(C2CC2)N=C1N.Cc1c(-c2ccc(F)c(C#N)c2)csc1[C@]1(C)CC(=O)N(C)C(N)=N1.
What is the InChIKey of (6S)-2-amino-5-(1-benzofuran-5-yl)-3,6-dimethyl-6-(4-quinoxalin-2-ylthiophen-2-yl)-5H-pyrimidin-4-one;2-amino-5-(5-bromo-2-fluorophenyl)-3,5-dimethylimidazol-4-one;5-[3-[(4R)-2-amino-4-cyclopropyl-1-methyl-5-oxoimidazol-4-yl]phenyl]-2-fluorobenzonitrile;5-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-4-methylthiophen-3-yl]-2-fluorobenzonitrile;(6S)-2-amino-3,6-dimethyl-6-[1-(pyridine-2-carbonyl)piperidin-3-yl]-5H-pyrimidin-4-one?
The InChIKey is LLNHMMGXPNNPFA-PMYUPVRLSA-N. The full InChI is InChI=1S/C26H21N5O2S.C20H17FN4O.C18H17FN4OS.C17H23N5O2.C11H11BrFN3O/c1-26(22-12-17(14-34-22)20-13-28-18-5-3-4-6-19(18)29-20)23(24(32)31(2)25(27)30-26)16-7-8-21-15(11-16)9-10-33-21;1-25-18(26)20(15-6-7-15,24-19(25)23)16-4-2-3-12(10-16)13-5-8-17(21)14(9-13)11-22;1-10-13(11-4-5-14(19)12(6-11)8-20)9-25-16(10)18(2)7-15(24)23(3)17(21)22-18;1-17(10-14(23)21(2)16(18)20-17)12-6-5-9-22(11-12)15(24)13-7-3-4-8-19-13;1-11(9(17)16(2)10(14)15-11)7-5-6(12)3-4-8(7)13/h3-14,23H,1-2H3,(H2,27,30);2-5,8-10,15H,6-7H2,1H3,(H2,23,24);4-6,9H,7H2,1-3H3,(H2,21,22);3-4,7-8,12H,5-6,9-11H2,1-2H3,(H2,18,20);3-5H,1-2H3,(H2,14,15)/t23?,26-;20-;18-;12?,17-;/m1100./s1.
What are the key properties of (6S)-2-amino-5-(1-benzofuran-5-yl)-3,6-dimethyl-6-(4-quinoxalin-2-ylthiophen-2-yl)-5H-pyrimidin-4-one;2-amino-5-(5-bromo-2-fluorophenyl)-3,5-dimethylimidazol-4-one;5-[3-[(4R)-2-amino-4-cyclopropyl-1-methyl-5-oxoimidazol-4-yl]phenyl]-2-fluorobenzonitrile;5-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-4-methylthiophen-3-yl]-2-fluorobenzonitrile;(6S)-2-amino-3,6-dimethyl-6-[1-(pyridine-2-carbonyl)piperidin-3-yl]-5H-pyrimidin-4-one?
(6S)-2-amino-5-(1-benzofuran-5-yl)-3,6-dimethyl-6-(4-quinoxalin-2-ylthiophen-2-yl)-5H-pyrimidin-4-one;2-amino-5-(5-bromo-2-fluorophenyl)-3,5-dimethylimidazol-4-one;5-[3-[(4R)-2-amino-4-cyclopropyl-1-methyl-5-oxoimidazol-4-yl]phenyl]-2-fluorobenzonitrile;5-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-4-methylthiophen-3-yl]-2-fluorobenzonitrile;(6S)-2-amino-3,6-dimethyl-6-[1-(pyridine-2-carbonyl)piperidin-3-yl]-5H-pyrimidin-4-one has a molecular weight of 1801.90 g/mol, XLogP of 13.23, 11 rotatable bonds, 5 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-2-amino-5-(1-benzofuran-5-yl)-3,6-dimethyl-6-(4-quinoxalin-2-ylthiophen-2-yl)-5H-pyrimidin-4-one;2-amino-5-(5-bromo-2-fluorophenyl)-3,5-dimethylimidazol-4-one;5-[3-[(4R)-2-amino-4-cyclopropyl-1-methyl-5-oxoimidazol-4-yl]phenyl]-2-fluorobenzonitrile;5-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-4-methylthiophen-3-yl]-2-fluorobenzonitrile;(6S)-2-amino-3,6-dimethyl-6-[1-(pyridine-2-carbonyl)piperidin-3-yl]-5H-pyrimidin-4-one is sourced from PubChem (CID 159386207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).