(5R,6S)-2-amino-6-[4-(2-chloro-4-pyridinyl)thiophen-2-yl]-5-cyclopropyl-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-(4-cyclopropylthiophen-2-yl)-3,6-dimethyl-5H-pyrimidin-4-one;(5S,6S)-2-amino-5-[4-(1,1-difluoroethyl)phenyl]-6-(2,6-difluorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-[4-(1,1-difluoroethyl)phenyl]-6-(2,6-difluorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one;3-[6-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]indazol-1-yl]propanenitrile;N-[3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)phenyl]pyridine-4-carboxamide;(3S)-2'-methylimino-5-[3-(trifluoromethyl)phenyl]spiro[1,2-dihydroindene-3,6'-1,3-diazinane]-4'-one

C129H129ClF11N27O8S2 — CID 160727218

About (5R,6S)-2-amino-6-[4-(2-chloro-4-pyridinyl)thiophen-2-yl]-5-cyclopropyl-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-(4-cyclopropylthiophen-2-yl)-3,6-dimethyl-5H-pyrimidin-4-one;(5S,6S)-2-amino-5-[4-(1,1-difluoroethyl)phenyl]-6-(2,6-difluorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-[4-(1,1-difluoroethyl)phenyl]-6-(2,6-difluorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one;3-[6-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]indazol-1-yl]propanenitrile;N-[3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)phenyl]pyridine-4-carboxamide;(3S)-2'-methylimino-5-[3-(trifluoromethyl)phenyl]spiro[1,2-dihydroindene-3,6'-1,3-diazinane]-4'-one

(5R,6S)-2-amino-6-[4-(2-chloro-4-pyridinyl)thiophen-2-yl]-5-cyclopropyl-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-(4-cyclopropylthiophen-2-yl)-3,6-dimethyl-5H-pyrimidin-4-one;(5S,6S)-2-amino-5-[4-(1,1-difluoroethyl)phenyl]-6-(2,6-difluorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-[4-(1,1-difluoroethyl)phenyl]-6-(2,6-difluorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one;3-[6-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]indazol-1-yl]propanenitrile;N-[3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)phenyl]pyridine-4-carboxamide;(3S)-2'-methylimino-5-[3-(trifluoromethyl)phenyl]spiro[1,2-dihydroindene-3,6'-1,3-diazinane]-4'-one (PubChem CID 160727218) has the molecular formula C129H129ClF11N27O8S2 and a molecular weight of 2494.20 g/mol. Its IUPAC name is (5R,6S)-2-amino-6-[4-(2-chloro-4-pyridinyl)thiophen-2-yl]-5-cyclopropyl-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-(4-cyclopropylthiophen-2-yl)-3,6-dimethyl-5H-pyrimidin-4-one;(5S,6S)-2-amino-5-[4-(1,1-difluoroethyl)phenyl]-6-(2,6-difluorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-[4-(1,1-difluoroethyl)phenyl]-6-(2,6-difluorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one;3-[6-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]indazol-1-yl]propanenitrile;N-[3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)phenyl]pyridine-4-carboxamide;(3S)-2'-methylimino-5-[3-(trifluoromethyl)phenyl]spiro[1,2-dihydroindene-3,6'-1,3-diazinane]-4'-one.

Molecular Properties

• Compound Name: (5R,6S)-2-amino-6-[4-(2-chloro-4-pyridinyl)thiophen-2-yl]-5-cyclopropyl-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-(4-cyclopropylthiophen-2-yl)-3,6-dimethyl-5H-pyrimidin-4-one;(5S,6S)-2-amino-5-[4-(1,1-difluoroethyl)phenyl]-6-(2,6-difluorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-[4-(1,1-difluoroethyl)phenyl]-6-(2,6-difluorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one;3-[6-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]indazol-1-yl]propanenitrile;N-[3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)phenyl]pyridine-4-carboxamide;(3S)-2'-methylimino-5-[3-(trifluoromethyl)phenyl]spiro[1,2-dihydroindene-3,6'-1,3-diazinane]-4'-one
• PubChem CID: 160727218
• Molecular Formula: C129H129ClF11N27O8S2
• Molecular Weight: 2494.20 g/mol
• Exact Mass: 2491.95
• IUPAC Name: (5R,6S)-2-amino-6-[4-(2-chloro-4-pyridinyl)thiophen-2-yl]-5-cyclopropyl-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-(4-cyclopropylthiophen-2-yl)-3,6-dimethyl-5H-pyrimidin-4-one;(5S,6S)-2-amino-5-[4-(1,1-difluoroethyl)phenyl]-6-(2,6-difluorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-[4-(1,1-difluoroethyl)phenyl]-6-(2,6-difluorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one;3-[6-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]indazol-1-yl]propanenitrile;N-[3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)phenyl]pyridine-4-carboxamide;(3S)-2'-methylimino-5-[3-(trifluoromethyl)phenyl]spiro[1,2-dihydroindene-3,6'-1,3-diazinane]-4'-one
• SMILES: C/N=C1\NC(=O)C[C@]2(CCc3ccc(-c4cccc(C(F)(F)F)c4)cc32)N1.CN1C(=O)C(c2ccccc2)(c2cccc(NC(=O)c3ccncc3)c2)N=C1N.CN1C(=O)C[C@@](C)(c2cc(C3CC3)cs2)N=C1N.CN1C(=O)C[C@@](C)(c2ccc3cnn(CCC#N)c3c2)N=C1N.CN1C(=O)[C@@H](c2ccc(C(C)(F)F)cc2)[C@@](C)(c2c(F)cccc2F)N=C1N.CN1C(=O)[C@H](C2CC2)[C@@](C)(c2cc(-c3ccnc(Cl)c3)cs2)N=C1N.CN1C(=O)[C@H](c2ccc(C(C)(F)F)cc2)[C@@](C)(c2c(F)cccc2F)N=C1N
• InChI: InChI=1S/C22H19N5O2.2C20H19F4N3O.C20H18F3N3O.C18H19ClN4OS.C16H18N6O.C13H17N3OS/c1-27-20(29)22(26-21(27)23,16-6-3-2-4-7-16)17-8-5-9-18(14-17)25-19(28)15-10-12-24-13-11-15;2*1-19(16-13(21)5-4-6-14(16)22)15(17(28)27(3)18(25)26-19)11-7-9-12(10-8-11)20(2,23)24;1-24-18-25-17(27)11-19(26-18)8-7-12-5-6-14(10-16(12)19)13-3-2-4-15(9-13)20(21,22)23;1-18(15(10-3-4-10)16(24)23(2)17(20)22-18)13-7-12(9-25-13)11-5-6-21-14(19)8-11;1-16(9-14(23)21(2)15(18)20-16)12-5-4-11-10-19-22(7-3-6-17)13(11)8-12;1-13(6-11(17)16(2)12(14)15-13)10-5-9(7-18-10)8-3-4-8/h2-14H,1H3,(H2,23,26)(H,25,28);2*4-10,15H,1-3H3,(H2,25,26);2-6,9-10H,7-8,11H2,1H3,(H2,24,25,26,27);5-10,15H,3-4H2,1-2H3,(H2,20,22);4-5,8,10H,3,7,9H2,1-2H3,(H2,18,20);5,7-8H,3-4,6H2,1-2H3,(H2,14,15)/t;15-,19+;15-,19-;19-;15-,18+;16-;13-/m.100000/s1
• InChIKey: RTWFVRBOMKRPOS-QJCZYUFBSA-N
• XLogP: 20.55
• TPSA: 502.12 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 28
• Rotatable Bonds: 19
• Heavy Atoms: 178
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2494.20
LogP ≤ 5	20.55
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (5R,6S)-2-amino-6-[4-(2-chloro-4-pyridinyl)thiophen-2-yl]-5-cyclopropyl-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-(4-cyclopropylthiophen-2-yl)-3,6-dimethyl-5H-pyrimidin-4-one;(5S,6S)-2-amino-5-[4-(1,1-difluoroethyl)phenyl]-6-(2,6-difluorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-[4-(1,1-difluoroethyl)phenyl]-6-(2,6-difluorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one;3-[6-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]indazol-1-yl]propanenitrile;N-[3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)phenyl]pyridine-4-carboxamide;(3S)-2'-methylimino-5-[3-(trifluoromethyl)phenyl]spiro[1,2-dihydroindene-3,6'-1,3-diazinane]-4'-one?

The IUPAC name of (5R,6S)-2-amino-6-[4-(2-chloro-4-pyridinyl)thiophen-2-yl]-5-cyclopropyl-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-(4-cyclopropylthiophen-2-yl)-3,6-dimethyl-5H-pyrimidin-4-one;(5S,6S)-2-amino-5-[4-(1,1-difluoroethyl)phenyl]-6-(2,6-difluorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-[4-(1,1-difluoroethyl)phenyl]-6-(2,6-difluorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one;3-[6-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]indazol-1-yl]propanenitrile;N-[3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)phenyl]pyridine-4-carboxamide;(3S)-2'-methylimino-5-[3-(trifluoromethyl)phenyl]spiro[1,2-dihydroindene-3,6'-1,3-diazinane]-4'-one (CID 160727218) is (5R,6S)-2-amino-6-[4-(2-chloro-4-pyridinyl)thiophen-2-yl]-5-cyclopropyl-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-(4-cyclopropylthiophen-2-yl)-3,6-dimethyl-5H-pyrimidin-4-one;(5S,6S)-2-amino-5-[4-(1,1-difluoroethyl)phenyl]-6-(2,6-difluorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-[4-(1,1-difluoroethyl)phenyl]-6-(2,6-difluorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one;3-[6-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]indazol-1-yl]propanenitrile;N-[3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)phenyl]pyridine-4-carboxamide;(3S)-2'-methylimino-5-[3-(trifluoromethyl)phenyl]spiro[1,2-dihydroindene-3,6'-1,3-diazinane]-4'-one.

What is the SMILES notation for (5R,6S)-2-amino-6-[4-(2-chloro-4-pyridinyl)thiophen-2-yl]-5-cyclopropyl-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-(4-cyclopropylthiophen-2-yl)-3,6-dimethyl-5H-pyrimidin-4-one;(5S,6S)-2-amino-5-[4-(1,1-difluoroethyl)phenyl]-6-(2,6-difluorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-[4-(1,1-difluoroethyl)phenyl]-6-(2,6-difluorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one;3-[6-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]indazol-1-yl]propanenitrile;N-[3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)phenyl]pyridine-4-carboxamide;(3S)-2'-methylimino-5-[3-(trifluoromethyl)phenyl]spiro[1,2-dihydroindene-3,6'-1,3-diazinane]-4'-one?

The canonical SMILES for (5R,6S)-2-amino-6-[4-(2-chloro-4-pyridinyl)thiophen-2-yl]-5-cyclopropyl-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-(4-cyclopropylthiophen-2-yl)-3,6-dimethyl-5H-pyrimidin-4-one;(5S,6S)-2-amino-5-[4-(1,1-difluoroethyl)phenyl]-6-(2,6-difluorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-[4-(1,1-difluoroethyl)phenyl]-6-(2,6-difluorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one;3-[6-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]indazol-1-yl]propanenitrile;N-[3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)phenyl]pyridine-4-carboxamide;(3S)-2'-methylimino-5-[3-(trifluoromethyl)phenyl]spiro[1,2-dihydroindene-3,6'-1,3-diazinane]-4'-one is C/N=C1\NC(=O)C[C@]2(CCc3ccc(-c4cccc(C(F)(F)F)c4)cc32)N1.CN1C(=O)C(c2ccccc2)(c2cccc(NC(=O)c3ccncc3)c2)N=C1N.CN1C(=O)C[C@@](C)(c2cc(C3CC3)cs2)N=C1N.CN1C(=O)C[C@@](C)(c2ccc3cnn(CCC#N)c3c2)N=C1N.CN1C(=O)[C@@H](c2ccc(C(C)(F)F)cc2)[C@@](C)(c2c(F)cccc2F)N=C1N.CN1C(=O)[C@H](C2CC2)[C@@](C)(c2cc(-c3ccnc(Cl)c3)cs2)N=C1N.CN1C(=O)[C@H](c2ccc(C(C)(F)F)cc2)[C@@](C)(c2c(F)cccc2F)N=C1N.

What is the InChIKey of (5R,6S)-2-amino-6-[4-(2-chloro-4-pyridinyl)thiophen-2-yl]-5-cyclopropyl-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-(4-cyclopropylthiophen-2-yl)-3,6-dimethyl-5H-pyrimidin-4-one;(5S,6S)-2-amino-5-[4-(1,1-difluoroethyl)phenyl]-6-(2,6-difluorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-[4-(1,1-difluoroethyl)phenyl]-6-(2,6-difluorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one;3-[6-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]indazol-1-yl]propanenitrile;N-[3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)phenyl]pyridine-4-carboxamide;(3S)-2'-methylimino-5-[3-(trifluoromethyl)phenyl]spiro[1,2-dihydroindene-3,6'-1,3-diazinane]-4'-one?

The InChIKey is RTWFVRBOMKRPOS-QJCZYUFBSA-N. The full InChI is InChI=1S/C22H19N5O2.2C20H19F4N3O.C20H18F3N3O.C18H19ClN4OS.C16H18N6O.C13H17N3OS/c1-27-20(29)22(26-21(27)23,16-6-3-2-4-7-16)17-8-5-9-18(14-17)25-19(28)15-10-12-24-13-11-15;2*1-19(16-13(21)5-4-6-14(16)22)15(17(28)27(3)18(25)26-19)11-7-9-12(10-8-11)20(2,23)24;1-24-18-25-17(27)11-19(26-18)8-7-12-5-6-14(10-16(12)19)13-3-2-4-15(9-13)20(21,22)23;1-18(15(10-3-4-10)16(24)23(2)17(20)22-18)13-7-12(9-25-13)11-5-6-21-14(19)8-11;1-16(9-14(23)21(2)15(18)20-16)12-5-4-11-10-19-22(7-3-6-17)13(11)8-12;1-13(6-11(17)16(2)12(14)15-13)10-5-9(7-18-10)8-3-4-8/h2-14H,1H3,(H2,23,26)(H,25,28);2*4-10,15H,1-3H3,(H2,25,26);2-6,9-10H,7-8,11H2,1H3,(H2,24,25,26,27);5-10,15H,3-4H2,1-2H3,(H2,20,22);4-5,8,10H,3,7,9H2,1-2H3,(H2,18,20);5,7-8H,3-4,6H2,1-2H3,(H2,14,15)/t;15-,19+;15-,19-;19-;15-,18+;16-;13-/m.100000/s1.

What are the key properties of (5R,6S)-2-amino-6-[4-(2-chloro-4-pyridinyl)thiophen-2-yl]-5-cyclopropyl-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-(4-cyclopropylthiophen-2-yl)-3,6-dimethyl-5H-pyrimidin-4-one;(5S,6S)-2-amino-5-[4-(1,1-difluoroethyl)phenyl]-6-(2,6-difluorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-[4-(1,1-difluoroethyl)phenyl]-6-(2,6-difluorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one;3-[6-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]indazol-1-yl]propanenitrile;N-[3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)phenyl]pyridine-4-carboxamide;(3S)-2'-methylimino-5-[3-(trifluoromethyl)phenyl]spiro[1,2-dihydroindene-3,6'-1,3-diazinane]-4'-one?

(5R,6S)-2-amino-6-[4-(2-chloro-4-pyridinyl)thiophen-2-yl]-5-cyclopropyl-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-(4-cyclopropylthiophen-2-yl)-3,6-dimethyl-5H-pyrimidin-4-one;(5S,6S)-2-amino-5-[4-(1,1-difluoroethyl)phenyl]-6-(2,6-difluorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-[4-(1,1-difluoroethyl)phenyl]-6-(2,6-difluorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one;3-[6-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]indazol-1-yl]propanenitrile;N-[3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)phenyl]pyridine-4-carboxamide;(3S)-2'-methylimino-5-[3-(trifluoromethyl)phenyl]spiro[1,2-dihydroindene-3,6'-1,3-diazinane]-4'-one has a molecular weight of 2494.20 g/mol, XLogP of 20.55, 19 rotatable bonds, 9 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for (5R,6S)-2-amino-6-[4-(2-chloro-4-pyridinyl)thiophen-2-yl]-5-cyclopropyl-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-(4-cyclopropylthiophen-2-yl)-3,6-dimethyl-5H-pyrimidin-4-one;(5S,6S)-2-amino-5-[4-(1,1-difluoroethyl)phenyl]-6-(2,6-difluorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-[4-(1,1-difluoroethyl)phenyl]-6-(2,6-difluorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one;3-[6-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]indazol-1-yl]propanenitrile;N-[3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)phenyl]pyridine-4-carboxamide;(3S)-2'-methylimino-5-[3-(trifluoromethyl)phenyl]spiro[1,2-dihydroindene-3,6'-1,3-diazinane]-4'-one is sourced from PubChem (CID 160727218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).