(6S)-2-amino-6-[1-[(5-bromo-6-chloro-3-pyridinyl)sulfonyl]piperidin-3-yl]-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-(4-bromothiophen-2-yl)-5-cyclobutyl-3,6-dimethyl-5H-pyrimidin-4-one;(5S,6S)-2-amino-6-(4-bromothiophen-2-yl)-5-cyclobutyl-3,6-dimethyl-5H-pyrimidin-4-one;5-[1-[2-amino-4-[4-(1,1-difluoroethyl)phenyl]-1-methyl-5-oxoimidazol-4-yl]-1-fluoroethyl]thiophene-2-carbonitrile;(6S)-2-amino-3,6-dimethyl-6-[1-methyl-3-[3-(trifluoromethyl)phenyl]pyrazol-5-yl]-5H-pyrimidin-4-one;(6S)-2-amino-6-[1-(3-iodophenyl)-3-methylpyrazol-4-yl]-3,6-dimethyl-5H-pyrimidin-4-one;N-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]cyclopropanecarboxamide

C122H134Br3ClF6IN29O10S4 — CID 158033946

About (6S)-2-amino-6-[1-[(5-bromo-6-chloro-3-pyridinyl)sulfonyl]piperidin-3-yl]-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-(4-bromothiophen-2-yl)-5-cyclobutyl-3,6-dimethyl-5H-pyrimidin-4-one;(5S,6S)-2-amino-6-(4-bromothiophen-2-yl)-5-cyclobutyl-3,6-dimethyl-5H-pyrimidin-4-one;5-[1-[2-amino-4-[4-(1,1-difluoroethyl)phenyl]-1-methyl-5-oxoimidazol-4-yl]-1-fluoroethyl]thiophene-2-carbonitrile;(6S)-2-amino-3,6-dimethyl-6-[1-methyl-3-[3-(trifluoromethyl)phenyl]pyrazol-5-yl]-5H-pyrimidin-4-one;(6S)-2-amino-6-[1-(3-iodophenyl)-3-methylpyrazol-4-yl]-3,6-dimethyl-5H-pyrimidin-4-one;N-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]cyclopropanecarboxamide

(6S)-2-amino-6-[1-[(5-bromo-6-chloro-3-pyridinyl)sulfonyl]piperidin-3-yl]-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-(4-bromothiophen-2-yl)-5-cyclobutyl-3,6-dimethyl-5H-pyrimidin-4-one;(5S,6S)-2-amino-6-(4-bromothiophen-2-yl)-5-cyclobutyl-3,6-dimethyl-5H-pyrimidin-4-one;5-[1-[2-amino-4-[4-(1,1-difluoroethyl)phenyl]-1-methyl-5-oxoimidazol-4-yl]-1-fluoroethyl]thiophene-2-carbonitrile;(6S)-2-amino-3,6-dimethyl-6-[1-methyl-3-[3-(trifluoromethyl)phenyl]pyrazol-5-yl]-5H-pyrimidin-4-one;(6S)-2-amino-6-[1-(3-iodophenyl)-3-methylpyrazol-4-yl]-3,6-dimethyl-5H-pyrimidin-4-one;N-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]cyclopropanecarboxamide (PubChem CID 158033946) has the molecular formula C122H134Br3ClF6IN29O10S4 and a molecular weight of 2810.93 g/mol. Its IUPAC name is (6S)-2-amino-6-[1-[(5-bromo-6-chloro-3-pyridinyl)sulfonyl]piperidin-3-yl]-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-(4-bromothiophen-2-yl)-5-cyclobutyl-3,6-dimethyl-5H-pyrimidin-4-one;(5S,6S)-2-amino-6-(4-bromothiophen-2-yl)-5-cyclobutyl-3,6-dimethyl-5H-pyrimidin-4-one;5-[1-[2-amino-4-[4-(1,1-difluoroethyl)phenyl]-1-methyl-5-oxoimidazol-4-yl]-1-fluoroethyl]thiophene-2-carbonitrile;(6S)-2-amino-3,6-dimethyl-6-[1-methyl-3-[3-(trifluoromethyl)phenyl]pyrazol-5-yl]-5H-pyrimidin-4-one;(6S)-2-amino-6-[1-(3-iodophenyl)-3-methylpyrazol-4-yl]-3,6-dimethyl-5H-pyrimidin-4-one;N-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]cyclopropanecarboxamide.

Molecular Properties

• Compound Name: (6S)-2-amino-6-[1-[(5-bromo-6-chloro-3-pyridinyl)sulfonyl]piperidin-3-yl]-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-(4-bromothiophen-2-yl)-5-cyclobutyl-3,6-dimethyl-5H-pyrimidin-4-one;(5S,6S)-2-amino-6-(4-bromothiophen-2-yl)-5-cyclobutyl-3,6-dimethyl-5H-pyrimidin-4-one;5-[1-[2-amino-4-[4-(1,1-difluoroethyl)phenyl]-1-methyl-5-oxoimidazol-4-yl]-1-fluoroethyl]thiophene-2-carbonitrile;(6S)-2-amino-3,6-dimethyl-6-[1-methyl-3-[3-(trifluoromethyl)phenyl]pyrazol-5-yl]-5H-pyrimidin-4-one;(6S)-2-amino-6-[1-(3-iodophenyl)-3-methylpyrazol-4-yl]-3,6-dimethyl-5H-pyrimidin-4-one;N-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]cyclopropanecarboxamide
• PubChem CID: 158033946
• Molecular Formula: C122H134Br3ClF6IN29O10S4
• Molecular Weight: 2810.93 g/mol
• Exact Mass: 2805.59
• IUPAC Name: (6S)-2-amino-6-[1-[(5-bromo-6-chloro-3-pyridinyl)sulfonyl]piperidin-3-yl]-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-(4-bromothiophen-2-yl)-5-cyclobutyl-3,6-dimethyl-5H-pyrimidin-4-one;(5S,6S)-2-amino-6-(4-bromothiophen-2-yl)-5-cyclobutyl-3,6-dimethyl-5H-pyrimidin-4-one;5-[1-[2-amino-4-[4-(1,1-difluoroethyl)phenyl]-1-methyl-5-oxoimidazol-4-yl]-1-fluoroethyl]thiophene-2-carbonitrile;(6S)-2-amino-3,6-dimethyl-6-[1-methyl-3-[3-(trifluoromethyl)phenyl]pyrazol-5-yl]-5H-pyrimidin-4-one;(6S)-2-amino-6-[1-(3-iodophenyl)-3-methylpyrazol-4-yl]-3,6-dimethyl-5H-pyrimidin-4-one;N-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]cyclopropanecarboxamide
• SMILES: CN1C(=O)C(c2ccc(C(C)(F)F)cc2)(C(C)(F)c2ccc(C#N)s2)N=C1N.CN1C(=O)C[C@@](C)(C2CCCN(S(=O)(=O)c3cnc(Cl)c(Br)c3)C2)N=C1N.CN1C(=O)C[C@@](C)(c2cc(-c3cccc(C(F)(F)F)c3)nn2C)N=C1N.CN1C(=O)[C@@H](C2CCC2)[C@@](C)(c2cc(Br)cs2)N=C1N.CN1C(=O)[C@H](C2CCC2)[C@@](C)(c2cc(Br)cs2)N=C1N.Cc1nn(-c2cccc(I)c2)cc1[C@]1(C)CC(=O)N(C)C(N)=N1.NC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1Cc1cccc(NC(=O)C2CC2)c1
• InChI: InChI=1S/C26H24N4O2.C19H17F3N4OS.C17H18F3N5O.C16H21BrClN5O3S.C16H18IN5O.2C14H18BrN3OS/c27-25-29-26(20-9-3-1-4-10-20,21-11-5-2-6-12-21)24(32)30(25)17-18-8-7-13-22(16-18)28-23(31)19-14-15-19;1-17(20,14-9-8-13(10-23)28-14)19(15(27)26(3)16(24)25-19)12-6-4-11(5-7-12)18(2,21)22;1-16(9-14(26)24(2)15(21)22-16)13-8-12(23-25(13)3)10-5-4-6-11(7-10)17(18,19)20;1-16(7-13(24)22(2)15(19)21-16)10-4-3-5-23(9-10)27(25,26)11-6-12(17)14(18)20-8-11;1-10-13(16(2)8-14(23)21(3)15(18)19-16)9-22(20-10)12-6-4-5-11(17)7-12;2*1-14(10-6-9(15)7-20-10)11(8-4-3-5-8)12(19)18(2)13(16)17-14/h1-13,16,19H,14-15,17H2,(H2,27,29)(H,28,31);4-9H,1-3H3,(H2,24,25);4-8H,9H2,1-3H3,(H2,21,22);6,8,10H,3-5,7,9H2,1-2H3,(H2,19,21);4-7,9H,8H2,1-3H3,(H2,18,19);2*6-8,11H,3-5H2,1-2H3,(H2,16,17)/t;;16-;10?,16-;16-;11-,14+;11-,14-/m..00001/s1
• InChIKey: FHNBBMJNOCRZNI-RJRWSXJNSA-N
• XLogP: 19.60
• TPSA: 549.63 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 33
• Rotatable Bonds: 21
• Heavy Atoms: 176
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2810.93
LogP ≤ 5	19.60
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (6S)-2-amino-6-[1-[(5-bromo-6-chloro-3-pyridinyl)sulfonyl]piperidin-3-yl]-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-(4-bromothiophen-2-yl)-5-cyclobutyl-3,6-dimethyl-5H-pyrimidin-4-one;(5S,6S)-2-amino-6-(4-bromothiophen-2-yl)-5-cyclobutyl-3,6-dimethyl-5H-pyrimidin-4-one;5-[1-[2-amino-4-[4-(1,1-difluoroethyl)phenyl]-1-methyl-5-oxoimidazol-4-yl]-1-fluoroethyl]thiophene-2-carbonitrile;(6S)-2-amino-3,6-dimethyl-6-[1-methyl-3-[3-(trifluoromethyl)phenyl]pyrazol-5-yl]-5H-pyrimidin-4-one;(6S)-2-amino-6-[1-(3-iodophenyl)-3-methylpyrazol-4-yl]-3,6-dimethyl-5H-pyrimidin-4-one;N-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]cyclopropanecarboxamide?

The IUPAC name of (6S)-2-amino-6-[1-[(5-bromo-6-chloro-3-pyridinyl)sulfonyl]piperidin-3-yl]-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-(4-bromothiophen-2-yl)-5-cyclobutyl-3,6-dimethyl-5H-pyrimidin-4-one;(5S,6S)-2-amino-6-(4-bromothiophen-2-yl)-5-cyclobutyl-3,6-dimethyl-5H-pyrimidin-4-one;5-[1-[2-amino-4-[4-(1,1-difluoroethyl)phenyl]-1-methyl-5-oxoimidazol-4-yl]-1-fluoroethyl]thiophene-2-carbonitrile;(6S)-2-amino-3,6-dimethyl-6-[1-methyl-3-[3-(trifluoromethyl)phenyl]pyrazol-5-yl]-5H-pyrimidin-4-one;(6S)-2-amino-6-[1-(3-iodophenyl)-3-methylpyrazol-4-yl]-3,6-dimethyl-5H-pyrimidin-4-one;N-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]cyclopropanecarboxamide (CID 158033946) is (6S)-2-amino-6-[1-[(5-bromo-6-chloro-3-pyridinyl)sulfonyl]piperidin-3-yl]-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-(4-bromothiophen-2-yl)-5-cyclobutyl-3,6-dimethyl-5H-pyrimidin-4-one;(5S,6S)-2-amino-6-(4-bromothiophen-2-yl)-5-cyclobutyl-3,6-dimethyl-5H-pyrimidin-4-one;5-[1-[2-amino-4-[4-(1,1-difluoroethyl)phenyl]-1-methyl-5-oxoimidazol-4-yl]-1-fluoroethyl]thiophene-2-carbonitrile;(6S)-2-amino-3,6-dimethyl-6-[1-methyl-3-[3-(trifluoromethyl)phenyl]pyrazol-5-yl]-5H-pyrimidin-4-one;(6S)-2-amino-6-[1-(3-iodophenyl)-3-methylpyrazol-4-yl]-3,6-dimethyl-5H-pyrimidin-4-one;N-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]cyclopropanecarboxamide.

What is the SMILES notation for (6S)-2-amino-6-[1-[(5-bromo-6-chloro-3-pyridinyl)sulfonyl]piperidin-3-yl]-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-(4-bromothiophen-2-yl)-5-cyclobutyl-3,6-dimethyl-5H-pyrimidin-4-one;(5S,6S)-2-amino-6-(4-bromothiophen-2-yl)-5-cyclobutyl-3,6-dimethyl-5H-pyrimidin-4-one;5-[1-[2-amino-4-[4-(1,1-difluoroethyl)phenyl]-1-methyl-5-oxoimidazol-4-yl]-1-fluoroethyl]thiophene-2-carbonitrile;(6S)-2-amino-3,6-dimethyl-6-[1-methyl-3-[3-(trifluoromethyl)phenyl]pyrazol-5-yl]-5H-pyrimidin-4-one;(6S)-2-amino-6-[1-(3-iodophenyl)-3-methylpyrazol-4-yl]-3,6-dimethyl-5H-pyrimidin-4-one;N-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]cyclopropanecarboxamide?

The canonical SMILES for (6S)-2-amino-6-[1-[(5-bromo-6-chloro-3-pyridinyl)sulfonyl]piperidin-3-yl]-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-(4-bromothiophen-2-yl)-5-cyclobutyl-3,6-dimethyl-5H-pyrimidin-4-one;(5S,6S)-2-amino-6-(4-bromothiophen-2-yl)-5-cyclobutyl-3,6-dimethyl-5H-pyrimidin-4-one;5-[1-[2-amino-4-[4-(1,1-difluoroethyl)phenyl]-1-methyl-5-oxoimidazol-4-yl]-1-fluoroethyl]thiophene-2-carbonitrile;(6S)-2-amino-3,6-dimethyl-6-[1-methyl-3-[3-(trifluoromethyl)phenyl]pyrazol-5-yl]-5H-pyrimidin-4-one;(6S)-2-amino-6-[1-(3-iodophenyl)-3-methylpyrazol-4-yl]-3,6-dimethyl-5H-pyrimidin-4-one;N-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]cyclopropanecarboxamide is CN1C(=O)C(c2ccc(C(C)(F)F)cc2)(C(C)(F)c2ccc(C#N)s2)N=C1N.CN1C(=O)C[C@@](C)(C2CCCN(S(=O)(=O)c3cnc(Cl)c(Br)c3)C2)N=C1N.CN1C(=O)C[C@@](C)(c2cc(-c3cccc(C(F)(F)F)c3)nn2C)N=C1N.CN1C(=O)[C@@H](C2CCC2)[C@@](C)(c2cc(Br)cs2)N=C1N.CN1C(=O)[C@H](C2CCC2)[C@@](C)(c2cc(Br)cs2)N=C1N.Cc1nn(-c2cccc(I)c2)cc1[C@]1(C)CC(=O)N(C)C(N)=N1.NC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1Cc1cccc(NC(=O)C2CC2)c1.

What is the InChIKey of (6S)-2-amino-6-[1-[(5-bromo-6-chloro-3-pyridinyl)sulfonyl]piperidin-3-yl]-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-(4-bromothiophen-2-yl)-5-cyclobutyl-3,6-dimethyl-5H-pyrimidin-4-one;(5S,6S)-2-amino-6-(4-bromothiophen-2-yl)-5-cyclobutyl-3,6-dimethyl-5H-pyrimidin-4-one;5-[1-[2-amino-4-[4-(1,1-difluoroethyl)phenyl]-1-methyl-5-oxoimidazol-4-yl]-1-fluoroethyl]thiophene-2-carbonitrile;(6S)-2-amino-3,6-dimethyl-6-[1-methyl-3-[3-(trifluoromethyl)phenyl]pyrazol-5-yl]-5H-pyrimidin-4-one;(6S)-2-amino-6-[1-(3-iodophenyl)-3-methylpyrazol-4-yl]-3,6-dimethyl-5H-pyrimidin-4-one;N-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]cyclopropanecarboxamide?

The InChIKey is FHNBBMJNOCRZNI-RJRWSXJNSA-N. The full InChI is InChI=1S/C26H24N4O2.C19H17F3N4OS.C17H18F3N5O.C16H21BrClN5O3S.C16H18IN5O.2C14H18BrN3OS/c27-25-29-26(20-9-3-1-4-10-20,21-11-5-2-6-12-21)24(32)30(25)17-18-8-7-13-22(16-18)28-23(31)19-14-15-19;1-17(20,14-9-8-13(10-23)28-14)19(15(27)26(3)16(24)25-19)12-6-4-11(5-7-12)18(2,21)22;1-16(9-14(26)24(2)15(21)22-16)13-8-12(23-25(13)3)10-5-4-6-11(7-10)17(18,19)20;1-16(7-13(24)22(2)15(19)21-16)10-4-3-5-23(9-10)27(25,26)11-6-12(17)14(18)20-8-11;1-10-13(16(2)8-14(23)21(3)15(18)19-16)9-22(20-10)12-6-4-5-11(17)7-12;2*1-14(10-6-9(15)7-20-10)11(8-4-3-5-8)12(19)18(2)13(16)17-14/h1-13,16,19H,14-15,17H2,(H2,27,29)(H,28,31);4-9H,1-3H3,(H2,24,25);4-8H,9H2,1-3H3,(H2,21,22);6,8,10H,3-5,7,9H2,1-2H3,(H2,19,21);4-7,9H,8H2,1-3H3,(H2,18,19);2*6-8,11H,3-5H2,1-2H3,(H2,16,17)/t;;16-;10?,16-;16-;11-,14+;11-,14-/m..00001/s1.

What are the key properties of (6S)-2-amino-6-[1-[(5-bromo-6-chloro-3-pyridinyl)sulfonyl]piperidin-3-yl]-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-(4-bromothiophen-2-yl)-5-cyclobutyl-3,6-dimethyl-5H-pyrimidin-4-one;(5S,6S)-2-amino-6-(4-bromothiophen-2-yl)-5-cyclobutyl-3,6-dimethyl-5H-pyrimidin-4-one;5-[1-[2-amino-4-[4-(1,1-difluoroethyl)phenyl]-1-methyl-5-oxoimidazol-4-yl]-1-fluoroethyl]thiophene-2-carbonitrile;(6S)-2-amino-3,6-dimethyl-6-[1-methyl-3-[3-(trifluoromethyl)phenyl]pyrazol-5-yl]-5H-pyrimidin-4-one;(6S)-2-amino-6-[1-(3-iodophenyl)-3-methylpyrazol-4-yl]-3,6-dimethyl-5H-pyrimidin-4-one;N-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]cyclopropanecarboxamide?

(6S)-2-amino-6-[1-[(5-bromo-6-chloro-3-pyridinyl)sulfonyl]piperidin-3-yl]-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-(4-bromothiophen-2-yl)-5-cyclobutyl-3,6-dimethyl-5H-pyrimidin-4-one;(5S,6S)-2-amino-6-(4-bromothiophen-2-yl)-5-cyclobutyl-3,6-dimethyl-5H-pyrimidin-4-one;5-[1-[2-amino-4-[4-(1,1-difluoroethyl)phenyl]-1-methyl-5-oxoimidazol-4-yl]-1-fluoroethyl]thiophene-2-carbonitrile;(6S)-2-amino-3,6-dimethyl-6-[1-methyl-3-[3-(trifluoromethyl)phenyl]pyrazol-5-yl]-5H-pyrimidin-4-one;(6S)-2-amino-6-[1-(3-iodophenyl)-3-methylpyrazol-4-yl]-3,6-dimethyl-5H-pyrimidin-4-one;N-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]cyclopropanecarboxamide has a molecular weight of 2810.93 g/mol, XLogP of 19.60, 21 rotatable bonds, 8 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for (6S)-2-amino-6-[1-[(5-bromo-6-chloro-3-pyridinyl)sulfonyl]piperidin-3-yl]-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-(4-bromothiophen-2-yl)-5-cyclobutyl-3,6-dimethyl-5H-pyrimidin-4-one;(5S,6S)-2-amino-6-(4-bromothiophen-2-yl)-5-cyclobutyl-3,6-dimethyl-5H-pyrimidin-4-one;5-[1-[2-amino-4-[4-(1,1-difluoroethyl)phenyl]-1-methyl-5-oxoimidazol-4-yl]-1-fluoroethyl]thiophene-2-carbonitrile;(6S)-2-amino-3,6-dimethyl-6-[1-methyl-3-[3-(trifluoromethyl)phenyl]pyrazol-5-yl]-5H-pyrimidin-4-one;(6S)-2-amino-6-[1-(3-iodophenyl)-3-methylpyrazol-4-yl]-3,6-dimethyl-5H-pyrimidin-4-one;N-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 158033946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).