2-amino-5-(3-aminophenyl)-3-methyl-5-phenylimidazol-4-one;(5R,6S)-2-amino-6-[4-(3-chloro-4-fluorophenyl)thiophen-2-yl]-5-cyclopropyl-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-(3-chlorothiophen-2-yl)-5-[4-(difluoromethyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one;2-amino-6-cyclopropyl-3-methyl-6-thiophen-2-yl-5H-pyrimidin-4-one;2-amino-5,5-diphenyl-3-(thiophen-2-ylmethyl)imidazol-4-one;1-[4-[(4S,5S)-2-amino-4-[4-(5-fluoro-3-pyridinyl)thiophen-2-yl]-1,4-dimethyl-6-oxo-5H-pyrimidin-5-yl]phenyl]cyclopropane-1-carbonitrile;1-[4-[(4S,5R)-2-amino-4-[4-(5-fluoro-3-pyridinyl)thiophen-2-yl]-1,4-dimethyl-6-oxo-5H-pyrimidin-5-yl]phenyl]cyclopropane-1-carbonitrile

C134H127Cl2F5N26O7S6 — CID 160920713

About 2-amino-5-(3-aminophenyl)-3-methyl-5-phenylimidazol-4-one;(5R,6S)-2-amino-6-[4-(3-chloro-4-fluorophenyl)thiophen-2-yl]-5-cyclopropyl-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-(3-chlorothiophen-2-yl)-5-[4-(difluoromethyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one;2-amino-6-cyclopropyl-3-methyl-6-thiophen-2-yl-5H-pyrimidin-4-one;2-amino-5,5-diphenyl-3-(thiophen-2-ylmethyl)imidazol-4-one;1-[4-[(4S,5S)-2-amino-4-[4-(5-fluoro-3-pyridinyl)thiophen-2-yl]-1,4-dimethyl-6-oxo-5H-pyrimidin-5-yl]phenyl]cyclopropane-1-carbonitrile;1-[4-[(4S,5R)-2-amino-4-[4-(5-fluoro-3-pyridinyl)thiophen-2-yl]-1,4-dimethyl-6-oxo-5H-pyrimidin-5-yl]phenyl]cyclopropane-1-carbonitrile

2-amino-5-(3-aminophenyl)-3-methyl-5-phenylimidazol-4-one;(5R,6S)-2-amino-6-[4-(3-chloro-4-fluorophenyl)thiophen-2-yl]-5-cyclopropyl-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-(3-chlorothiophen-2-yl)-5-[4-(difluoromethyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one;2-amino-6-cyclopropyl-3-methyl-6-thiophen-2-yl-5H-pyrimidin-4-one;2-amino-5,5-diphenyl-3-(thiophen-2-ylmethyl)imidazol-4-one;1-[4-[(4S,5S)-2-amino-4-[4-(5-fluoro-3-pyridinyl)thiophen-2-yl]-1,4-dimethyl-6-oxo-5H-pyrimidin-5-yl]phenyl]cyclopropane-1-carbonitrile;1-[4-[(4S,5R)-2-amino-4-[4-(5-fluoro-3-pyridinyl)thiophen-2-yl]-1,4-dimethyl-6-oxo-5H-pyrimidin-5-yl]phenyl]cyclopropane-1-carbonitrile (PubChem CID 160920713) has the molecular formula C134H127Cl2F5N26O7S6 and a molecular weight of 2571.96 g/mol. Its IUPAC name is 2-amino-5-(3-aminophenyl)-3-methyl-5-phenylimidazol-4-one;(5R,6S)-2-amino-6-[4-(3-chloro-4-fluorophenyl)thiophen-2-yl]-5-cyclopropyl-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-(3-chlorothiophen-2-yl)-5-[4-(difluoromethyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one;2-amino-6-cyclopropyl-3-methyl-6-thiophen-2-yl-5H-pyrimidin-4-one;2-amino-5,5-diphenyl-3-(thiophen-2-ylmethyl)imidazol-4-one;1-[4-[(4S,5S)-2-amino-4-[4-(5-fluoro-3-pyridinyl)thiophen-2-yl]-1,4-dimethyl-6-oxo-5H-pyrimidin-5-yl]phenyl]cyclopropane-1-carbonitrile;1-[4-[(4S,5R)-2-amino-4-[4-(5-fluoro-3-pyridinyl)thiophen-2-yl]-1,4-dimethyl-6-oxo-5H-pyrimidin-5-yl]phenyl]cyclopropane-1-carbonitrile.

Molecular Properties

• Compound Name: 2-amino-5-(3-aminophenyl)-3-methyl-5-phenylimidazol-4-one;(5R,6S)-2-amino-6-[4-(3-chloro-4-fluorophenyl)thiophen-2-yl]-5-cyclopropyl-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-(3-chlorothiophen-2-yl)-5-[4-(difluoromethyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one;2-amino-6-cyclopropyl-3-methyl-6-thiophen-2-yl-5H-pyrimidin-4-one;2-amino-5,5-diphenyl-3-(thiophen-2-ylmethyl)imidazol-4-one;1-[4-[(4S,5S)-2-amino-4-[4-(5-fluoro-3-pyridinyl)thiophen-2-yl]-1,4-dimethyl-6-oxo-5H-pyrimidin-5-yl]phenyl]cyclopropane-1-carbonitrile;1-[4-[(4S,5R)-2-amino-4-[4-(5-fluoro-3-pyridinyl)thiophen-2-yl]-1,4-dimethyl-6-oxo-5H-pyrimidin-5-yl]phenyl]cyclopropane-1-carbonitrile
• PubChem CID: 160920713
• Molecular Formula: C134H127Cl2F5N26O7S6
• Molecular Weight: 2571.96 g/mol
• Exact Mass: 2568.80
• IUPAC Name: 2-amino-5-(3-aminophenyl)-3-methyl-5-phenylimidazol-4-one;(5R,6S)-2-amino-6-[4-(3-chloro-4-fluorophenyl)thiophen-2-yl]-5-cyclopropyl-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-(3-chlorothiophen-2-yl)-5-[4-(difluoromethyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one;2-amino-6-cyclopropyl-3-methyl-6-thiophen-2-yl-5H-pyrimidin-4-one;2-amino-5,5-diphenyl-3-(thiophen-2-ylmethyl)imidazol-4-one;1-[4-[(4S,5S)-2-amino-4-[4-(5-fluoro-3-pyridinyl)thiophen-2-yl]-1,4-dimethyl-6-oxo-5H-pyrimidin-5-yl]phenyl]cyclopropane-1-carbonitrile;1-[4-[(4S,5R)-2-amino-4-[4-(5-fluoro-3-pyridinyl)thiophen-2-yl]-1,4-dimethyl-6-oxo-5H-pyrimidin-5-yl]phenyl]cyclopropane-1-carbonitrile
• SMILES: CN1C(=O)C(c2ccc(C(F)F)cc2)[C@@](C)(c2sccc2Cl)N=C1N.CN1C(=O)C(c2ccccc2)(c2cccc(N)c2)N=C1N.CN1C(=O)CC(c2cccs2)(C2CC2)N=C1N.CN1C(=O)[C@@H](c2ccc(C3(C#N)CC3)cc2)[C@@](C)(c2cc(-c3cncc(F)c3)cs2)N=C1N.CN1C(=O)[C@H](C2CC2)[C@@](C)(c2cc(-c3ccc(F)c(Cl)c3)cs2)N=C1N.CN1C(=O)[C@H](c2ccc(C3(C#N)CC3)cc2)[C@@](C)(c2cc(-c3cncc(F)c3)cs2)N=C1N.NC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1Cc1cccs1
• InChI: InChI=1S/2C25H22FN5OS.C20H17N3OS.C19H19ClFN3OS.C17H16ClF2N3OS.C16H16N4O.C12H15N3OS/c2*1-24(20-10-17(13-33-20)16-9-19(26)12-29-11-16)21(22(32)31(2)23(28)30-24)15-3-5-18(6-4-15)25(14-27)7-8-25;21-19-22-20(15-8-3-1-4-9-15,16-10-5-2-6-11-16)18(24)23(19)14-17-12-7-13-25-17;1-19(16(10-3-4-10)17(25)24(2)18(22)23-19)15-8-12(9-26-15)11-5-6-14(21)13(20)7-11;1-17(13-11(18)7-8-25-13)12(15(24)23(2)16(21)22-17)9-3-5-10(6-4-9)14(19)20;1-20-14(21)16(19-15(20)18,11-6-3-2-4-7-11)12-8-5-9-13(17)10-12;1-15-10(16)7-12(8-4-5-8,14-11(15)13)9-3-2-6-17-9/h2*3-6,9-13,21H,7-8H2,1-2H3,(H2,28,30);1-13H,14H2,(H2,21,22);5-10,16H,3-4H2,1-2H3,(H2,22,23);3-8,12,14H,1-2H3,(H2,21,22);2-10H,17H2,1H3,(H2,18,19);2-3,6,8H,4-5,7H2,1H3,(H2,13,14)/t21-,24+;21-,24-;;16-,19+;12?,17-;;/m01.00../s1
• InChIKey: SRZIPSANMQIEHI-XTWUAYALSA-N
• XLogP: 23.12
• TPSA: 510.21 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 32
• Rotatable Bonds: 22
• Heavy Atoms: 180
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2571.96
LogP ≤ 5	23.12
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(3-aminophenyl)-3-methyl-5-phenylimidazol-4-one;(5R,6S)-2-amino-6-[4-(3-chloro-4-fluorophenyl)thiophen-2-yl]-5-cyclopropyl-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-(3-chlorothiophen-2-yl)-5-[4-(difluoromethyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one;2-amino-6-cyclopropyl-3-methyl-6-thiophen-2-yl-5H-pyrimidin-4-one;2-amino-5,5-diphenyl-3-(thiophen-2-ylmethyl)imidazol-4-one;1-[4-[(4S,5S)-2-amino-4-[4-(5-fluoro-3-pyridinyl)thiophen-2-yl]-1,4-dimethyl-6-oxo-5H-pyrimidin-5-yl]phenyl]cyclopropane-1-carbonitrile;1-[4-[(4S,5R)-2-amino-4-[4-(5-fluoro-3-pyridinyl)thiophen-2-yl]-1,4-dimethyl-6-oxo-5H-pyrimidin-5-yl]phenyl]cyclopropane-1-carbonitrile?

The IUPAC name of 2-amino-5-(3-aminophenyl)-3-methyl-5-phenylimidazol-4-one;(5R,6S)-2-amino-6-[4-(3-chloro-4-fluorophenyl)thiophen-2-yl]-5-cyclopropyl-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-(3-chlorothiophen-2-yl)-5-[4-(difluoromethyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one;2-amino-6-cyclopropyl-3-methyl-6-thiophen-2-yl-5H-pyrimidin-4-one;2-amino-5,5-diphenyl-3-(thiophen-2-ylmethyl)imidazol-4-one;1-[4-[(4S,5S)-2-amino-4-[4-(5-fluoro-3-pyridinyl)thiophen-2-yl]-1,4-dimethyl-6-oxo-5H-pyrimidin-5-yl]phenyl]cyclopropane-1-carbonitrile;1-[4-[(4S,5R)-2-amino-4-[4-(5-fluoro-3-pyridinyl)thiophen-2-yl]-1,4-dimethyl-6-oxo-5H-pyrimidin-5-yl]phenyl]cyclopropane-1-carbonitrile (CID 160920713) is 2-amino-5-(3-aminophenyl)-3-methyl-5-phenylimidazol-4-one;(5R,6S)-2-amino-6-[4-(3-chloro-4-fluorophenyl)thiophen-2-yl]-5-cyclopropyl-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-(3-chlorothiophen-2-yl)-5-[4-(difluoromethyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one;2-amino-6-cyclopropyl-3-methyl-6-thiophen-2-yl-5H-pyrimidin-4-one;2-amino-5,5-diphenyl-3-(thiophen-2-ylmethyl)imidazol-4-one;1-[4-[(4S,5S)-2-amino-4-[4-(5-fluoro-3-pyridinyl)thiophen-2-yl]-1,4-dimethyl-6-oxo-5H-pyrimidin-5-yl]phenyl]cyclopropane-1-carbonitrile;1-[4-[(4S,5R)-2-amino-4-[4-(5-fluoro-3-pyridinyl)thiophen-2-yl]-1,4-dimethyl-6-oxo-5H-pyrimidin-5-yl]phenyl]cyclopropane-1-carbonitrile.

What is the SMILES notation for 2-amino-5-(3-aminophenyl)-3-methyl-5-phenylimidazol-4-one;(5R,6S)-2-amino-6-[4-(3-chloro-4-fluorophenyl)thiophen-2-yl]-5-cyclopropyl-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-(3-chlorothiophen-2-yl)-5-[4-(difluoromethyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one;2-amino-6-cyclopropyl-3-methyl-6-thiophen-2-yl-5H-pyrimidin-4-one;2-amino-5,5-diphenyl-3-(thiophen-2-ylmethyl)imidazol-4-one;1-[4-[(4S,5S)-2-amino-4-[4-(5-fluoro-3-pyridinyl)thiophen-2-yl]-1,4-dimethyl-6-oxo-5H-pyrimidin-5-yl]phenyl]cyclopropane-1-carbonitrile;1-[4-[(4S,5R)-2-amino-4-[4-(5-fluoro-3-pyridinyl)thiophen-2-yl]-1,4-dimethyl-6-oxo-5H-pyrimidin-5-yl]phenyl]cyclopropane-1-carbonitrile?

The canonical SMILES for 2-amino-5-(3-aminophenyl)-3-methyl-5-phenylimidazol-4-one;(5R,6S)-2-amino-6-[4-(3-chloro-4-fluorophenyl)thiophen-2-yl]-5-cyclopropyl-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-(3-chlorothiophen-2-yl)-5-[4-(difluoromethyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one;2-amino-6-cyclopropyl-3-methyl-6-thiophen-2-yl-5H-pyrimidin-4-one;2-amino-5,5-diphenyl-3-(thiophen-2-ylmethyl)imidazol-4-one;1-[4-[(4S,5S)-2-amino-4-[4-(5-fluoro-3-pyridinyl)thiophen-2-yl]-1,4-dimethyl-6-oxo-5H-pyrimidin-5-yl]phenyl]cyclopropane-1-carbonitrile;1-[4-[(4S,5R)-2-amino-4-[4-(5-fluoro-3-pyridinyl)thiophen-2-yl]-1,4-dimethyl-6-oxo-5H-pyrimidin-5-yl]phenyl]cyclopropane-1-carbonitrile is CN1C(=O)C(c2ccc(C(F)F)cc2)[C@@](C)(c2sccc2Cl)N=C1N.CN1C(=O)C(c2ccccc2)(c2cccc(N)c2)N=C1N.CN1C(=O)CC(c2cccs2)(C2CC2)N=C1N.CN1C(=O)[C@@H](c2ccc(C3(C#N)CC3)cc2)[C@@](C)(c2cc(-c3cncc(F)c3)cs2)N=C1N.CN1C(=O)[C@H](C2CC2)[C@@](C)(c2cc(-c3ccc(F)c(Cl)c3)cs2)N=C1N.CN1C(=O)[C@H](c2ccc(C3(C#N)CC3)cc2)[C@@](C)(c2cc(-c3cncc(F)c3)cs2)N=C1N.NC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1Cc1cccs1.

What is the InChIKey of 2-amino-5-(3-aminophenyl)-3-methyl-5-phenylimidazol-4-one;(5R,6S)-2-amino-6-[4-(3-chloro-4-fluorophenyl)thiophen-2-yl]-5-cyclopropyl-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-(3-chlorothiophen-2-yl)-5-[4-(difluoromethyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one;2-amino-6-cyclopropyl-3-methyl-6-thiophen-2-yl-5H-pyrimidin-4-one;2-amino-5,5-diphenyl-3-(thiophen-2-ylmethyl)imidazol-4-one;1-[4-[(4S,5S)-2-amino-4-[4-(5-fluoro-3-pyridinyl)thiophen-2-yl]-1,4-dimethyl-6-oxo-5H-pyrimidin-5-yl]phenyl]cyclopropane-1-carbonitrile;1-[4-[(4S,5R)-2-amino-4-[4-(5-fluoro-3-pyridinyl)thiophen-2-yl]-1,4-dimethyl-6-oxo-5H-pyrimidin-5-yl]phenyl]cyclopropane-1-carbonitrile?

The InChIKey is SRZIPSANMQIEHI-XTWUAYALSA-N. The full InChI is InChI=1S/2C25H22FN5OS.C20H17N3OS.C19H19ClFN3OS.C17H16ClF2N3OS.C16H16N4O.C12H15N3OS/c2*1-24(20-10-17(13-33-20)16-9-19(26)12-29-11-16)21(22(32)31(2)23(28)30-24)15-3-5-18(6-4-15)25(14-27)7-8-25;21-19-22-20(15-8-3-1-4-9-15,16-10-5-2-6-11-16)18(24)23(19)14-17-12-7-13-25-17;1-19(16(10-3-4-10)17(25)24(2)18(22)23-19)15-8-12(9-26-15)11-5-6-14(21)13(20)7-11;1-17(13-11(18)7-8-25-13)12(15(24)23(2)16(21)22-17)9-3-5-10(6-4-9)14(19)20;1-20-14(21)16(19-15(20)18,11-6-3-2-4-7-11)12-8-5-9-13(17)10-12;1-15-10(16)7-12(8-4-5-8,14-11(15)13)9-3-2-6-17-9/h2*3-6,9-13,21H,7-8H2,1-2H3,(H2,28,30);1-13H,14H2,(H2,21,22);5-10,16H,3-4H2,1-2H3,(H2,22,23);3-8,12,14H,1-2H3,(H2,21,22);2-10H,17H2,1H3,(H2,18,19);2-3,6,8H,4-5,7H2,1H3,(H2,13,14)/t21-,24+;21-,24-;;16-,19+;12?,17-;;/m01.00../s1.

What are the key properties of 2-amino-5-(3-aminophenyl)-3-methyl-5-phenylimidazol-4-one;(5R,6S)-2-amino-6-[4-(3-chloro-4-fluorophenyl)thiophen-2-yl]-5-cyclopropyl-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-(3-chlorothiophen-2-yl)-5-[4-(difluoromethyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one;2-amino-6-cyclopropyl-3-methyl-6-thiophen-2-yl-5H-pyrimidin-4-one;2-amino-5,5-diphenyl-3-(thiophen-2-ylmethyl)imidazol-4-one;1-[4-[(4S,5S)-2-amino-4-[4-(5-fluoro-3-pyridinyl)thiophen-2-yl]-1,4-dimethyl-6-oxo-5H-pyrimidin-5-yl]phenyl]cyclopropane-1-carbonitrile;1-[4-[(4S,5R)-2-amino-4-[4-(5-fluoro-3-pyridinyl)thiophen-2-yl]-1,4-dimethyl-6-oxo-5H-pyrimidin-5-yl]phenyl]cyclopropane-1-carbonitrile?

2-amino-5-(3-aminophenyl)-3-methyl-5-phenylimidazol-4-one;(5R,6S)-2-amino-6-[4-(3-chloro-4-fluorophenyl)thiophen-2-yl]-5-cyclopropyl-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-(3-chlorothiophen-2-yl)-5-[4-(difluoromethyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one;2-amino-6-cyclopropyl-3-methyl-6-thiophen-2-yl-5H-pyrimidin-4-one;2-amino-5,5-diphenyl-3-(thiophen-2-ylmethyl)imidazol-4-one;1-[4-[(4S,5S)-2-amino-4-[4-(5-fluoro-3-pyridinyl)thiophen-2-yl]-1,4-dimethyl-6-oxo-5H-pyrimidin-5-yl]phenyl]cyclopropane-1-carbonitrile;1-[4-[(4S,5R)-2-amino-4-[4-(5-fluoro-3-pyridinyl)thiophen-2-yl]-1,4-dimethyl-6-oxo-5H-pyrimidin-5-yl]phenyl]cyclopropane-1-carbonitrile has a molecular weight of 2571.96 g/mol, XLogP of 23.12, 22 rotatable bonds, 8 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-5-(3-aminophenyl)-3-methyl-5-phenylimidazol-4-one;(5R,6S)-2-amino-6-[4-(3-chloro-4-fluorophenyl)thiophen-2-yl]-5-cyclopropyl-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-(3-chlorothiophen-2-yl)-5-[4-(difluoromethyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one;2-amino-6-cyclopropyl-3-methyl-6-thiophen-2-yl-5H-pyrimidin-4-one;2-amino-5,5-diphenyl-3-(thiophen-2-ylmethyl)imidazol-4-one;1-[4-[(4S,5S)-2-amino-4-[4-(5-fluoro-3-pyridinyl)thiophen-2-yl]-1,4-dimethyl-6-oxo-5H-pyrimidin-5-yl]phenyl]cyclopropane-1-carbonitrile;1-[4-[(4S,5R)-2-amino-4-[4-(5-fluoro-3-pyridinyl)thiophen-2-yl]-1,4-dimethyl-6-oxo-5H-pyrimidin-5-yl]phenyl]cyclopropane-1-carbonitrile is sourced from PubChem (CID 160920713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).