(6S)-2-amino-6-[6-(3-chloro-4-fluorophenyl)-2-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-[4-(5-cyclopropyl-3-pyridinyl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-3-pyridinyl]benzonitrile;(6S)-2-amino-6-(3-fluorothiophen-2-yl)-3,6-dimethyl-5H-pyrimidin-4-one;5-[5-[(4S)-2-amino-5-imidazol-1-yl-1,4,5-trimethyl-6-oxopyrimidin-4-yl]thiophen-3-yl]-2-fluorobenzonitrile;N-[4-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)butyl]piperidine-2-carboxamide

C109H115ClF3N27O7S3 — CID 158457032

About (6S)-2-amino-6-[6-(3-chloro-4-fluorophenyl)-2-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-[4-(5-cyclopropyl-3-pyridinyl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-3-pyridinyl]benzonitrile;(6S)-2-amino-6-(3-fluorothiophen-2-yl)-3,6-dimethyl-5H-pyrimidin-4-one;5-[5-[(4S)-2-amino-5-imidazol-1-yl-1,4,5-trimethyl-6-oxopyrimidin-4-yl]thiophen-3-yl]-2-fluorobenzonitrile;N-[4-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)butyl]piperidine-2-carboxamide

(6S)-2-amino-6-[6-(3-chloro-4-fluorophenyl)-2-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-[4-(5-cyclopropyl-3-pyridinyl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-3-pyridinyl]benzonitrile;(6S)-2-amino-6-(3-fluorothiophen-2-yl)-3,6-dimethyl-5H-pyrimidin-4-one;5-[5-[(4S)-2-amino-5-imidazol-1-yl-1,4,5-trimethyl-6-oxopyrimidin-4-yl]thiophen-3-yl]-2-fluorobenzonitrile;N-[4-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)butyl]piperidine-2-carboxamide (PubChem CID 158457032) has the molecular formula C109H115ClF3N27O7S3 and a molecular weight of 2103.95 g/mol. Its IUPAC name is (6S)-2-amino-6-[6-(3-chloro-4-fluorophenyl)-2-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-[4-(5-cyclopropyl-3-pyridinyl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-3-pyridinyl]benzonitrile;(6S)-2-amino-6-(3-fluorothiophen-2-yl)-3,6-dimethyl-5H-pyrimidin-4-one;5-[5-[(4S)-2-amino-5-imidazol-1-yl-1,4,5-trimethyl-6-oxopyrimidin-4-yl]thiophen-3-yl]-2-fluorobenzonitrile;N-[4-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)butyl]piperidine-2-carboxamide.

Molecular Properties

• Compound Name: (6S)-2-amino-6-[6-(3-chloro-4-fluorophenyl)-2-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-[4-(5-cyclopropyl-3-pyridinyl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-3-pyridinyl]benzonitrile;(6S)-2-amino-6-(3-fluorothiophen-2-yl)-3,6-dimethyl-5H-pyrimidin-4-one;5-[5-[(4S)-2-amino-5-imidazol-1-yl-1,4,5-trimethyl-6-oxopyrimidin-4-yl]thiophen-3-yl]-2-fluorobenzonitrile;N-[4-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)butyl]piperidine-2-carboxamide
• PubChem CID: 158457032
• Molecular Formula: C109H115ClF3N27O7S3
• Molecular Weight: 2103.95 g/mol
• Exact Mass: 2101.83
• IUPAC Name: (6S)-2-amino-6-[6-(3-chloro-4-fluorophenyl)-2-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-[4-(5-cyclopropyl-3-pyridinyl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-3-pyridinyl]benzonitrile;(6S)-2-amino-6-(3-fluorothiophen-2-yl)-3,6-dimethyl-5H-pyrimidin-4-one;5-[5-[(4S)-2-amino-5-imidazol-1-yl-1,4,5-trimethyl-6-oxopyrimidin-4-yl]thiophen-3-yl]-2-fluorobenzonitrile;N-[4-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)butyl]piperidine-2-carboxamide
• SMILES: CN1C(=O)C(C)(n2ccnc2)[C@@](C)(c2cc(-c3ccc(F)c(C#N)c3)cs2)N=C1N.CN1C(=O)C[C@@](C)(c2cc(-c3cncc(C4CC4)c3)cs2)N=C1N.CN1C(=O)C[C@@](C)(c2cccc(-c3ccc(F)c(Cl)c3)n2)N=C1N.CN1C(=O)C[C@@](C)(c2cncc(-c3cccc(C#N)c3)c2)N=C1N.CN1C(=O)C[C@@](C)(c2sccc2F)N=C1N.NC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1CCCCNC(=O)C1CCCCN1
• InChI: InChI=1S/C25H31N5O2.C21H19FN6OS.C18H17N5O.C18H20N4OS.C17H16ClFN4O.C10H12FN3OS/c26-24-29-25(19-11-3-1-4-12-19,20-13-5-2-6-14-20)23(32)30(24)18-10-9-17-28-22(31)21-15-7-8-16-27-21;1-20(17-9-15(11-30-17)13-4-5-16(22)14(8-13)10-23)21(2,28-7-6-25-12-28)18(29)27(3)19(24)26-20;1-18(8-16(24)23(2)17(20)22-18)15-7-14(10-21-11-15)13-5-3-4-12(6-13)9-19;1-18(7-16(23)22(2)17(19)21-18)15-6-14(10-24-15)13-5-12(8-20-9-13)11-3-4-11;1-17(9-15(24)23(2)16(20)22-17)14-5-3-4-13(21-14)10-6-7-12(19)11(18)8-10;1-10(8-6(11)3-4-16-8)5-7(15)14(2)9(12)13-10/h1-6,11-14,21,27H,7-10,15-18H2,(H2,26,29)(H,28,31);4-9,11-12H,1-3H3,(H2,24,26);3-7,10-11H,8H2,1-2H3,(H2,20,22);5-6,8-11H,3-4,7H2,1-2H3,(H2,19,21);3-8H,9H2,1-2H3,(H2,20,22);3-4H,5H2,1-2H3,(H2,12,13)/t;20-,21?;2*18-;17-;10-/m.10000/s1
• InChIKey: HERUVGQNSILEOB-OEHCLESKSA-N
• XLogP: 14.47
• TPSA: 497.34 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 30
• Rotatable Bonds: 19
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2103.95
LogP ≤ 5	14.47
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (6S)-2-amino-6-[6-(3-chloro-4-fluorophenyl)-2-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-[4-(5-cyclopropyl-3-pyridinyl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-3-pyridinyl]benzonitrile;(6S)-2-amino-6-(3-fluorothiophen-2-yl)-3,6-dimethyl-5H-pyrimidin-4-one;5-[5-[(4S)-2-amino-5-imidazol-1-yl-1,4,5-trimethyl-6-oxopyrimidin-4-yl]thiophen-3-yl]-2-fluorobenzonitrile;N-[4-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)butyl]piperidine-2-carboxamide?

The IUPAC name of (6S)-2-amino-6-[6-(3-chloro-4-fluorophenyl)-2-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-[4-(5-cyclopropyl-3-pyridinyl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-3-pyridinyl]benzonitrile;(6S)-2-amino-6-(3-fluorothiophen-2-yl)-3,6-dimethyl-5H-pyrimidin-4-one;5-[5-[(4S)-2-amino-5-imidazol-1-yl-1,4,5-trimethyl-6-oxopyrimidin-4-yl]thiophen-3-yl]-2-fluorobenzonitrile;N-[4-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)butyl]piperidine-2-carboxamide (CID 158457032) is (6S)-2-amino-6-[6-(3-chloro-4-fluorophenyl)-2-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-[4-(5-cyclopropyl-3-pyridinyl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-3-pyridinyl]benzonitrile;(6S)-2-amino-6-(3-fluorothiophen-2-yl)-3,6-dimethyl-5H-pyrimidin-4-one;5-[5-[(4S)-2-amino-5-imidazol-1-yl-1,4,5-trimethyl-6-oxopyrimidin-4-yl]thiophen-3-yl]-2-fluorobenzonitrile;N-[4-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)butyl]piperidine-2-carboxamide.

What is the SMILES notation for (6S)-2-amino-6-[6-(3-chloro-4-fluorophenyl)-2-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-[4-(5-cyclopropyl-3-pyridinyl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-3-pyridinyl]benzonitrile;(6S)-2-amino-6-(3-fluorothiophen-2-yl)-3,6-dimethyl-5H-pyrimidin-4-one;5-[5-[(4S)-2-amino-5-imidazol-1-yl-1,4,5-trimethyl-6-oxopyrimidin-4-yl]thiophen-3-yl]-2-fluorobenzonitrile;N-[4-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)butyl]piperidine-2-carboxamide?

The canonical SMILES for (6S)-2-amino-6-[6-(3-chloro-4-fluorophenyl)-2-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-[4-(5-cyclopropyl-3-pyridinyl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-3-pyridinyl]benzonitrile;(6S)-2-amino-6-(3-fluorothiophen-2-yl)-3,6-dimethyl-5H-pyrimidin-4-one;5-[5-[(4S)-2-amino-5-imidazol-1-yl-1,4,5-trimethyl-6-oxopyrimidin-4-yl]thiophen-3-yl]-2-fluorobenzonitrile;N-[4-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)butyl]piperidine-2-carboxamide is CN1C(=O)C(C)(n2ccnc2)[C@@](C)(c2cc(-c3ccc(F)c(C#N)c3)cs2)N=C1N.CN1C(=O)C[C@@](C)(c2cc(-c3cncc(C4CC4)c3)cs2)N=C1N.CN1C(=O)C[C@@](C)(c2cccc(-c3ccc(F)c(Cl)c3)n2)N=C1N.CN1C(=O)C[C@@](C)(c2cncc(-c3cccc(C#N)c3)c2)N=C1N.CN1C(=O)C[C@@](C)(c2sccc2F)N=C1N.NC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1CCCCNC(=O)C1CCCCN1.

What is the InChIKey of (6S)-2-amino-6-[6-(3-chloro-4-fluorophenyl)-2-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-[4-(5-cyclopropyl-3-pyridinyl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-3-pyridinyl]benzonitrile;(6S)-2-amino-6-(3-fluorothiophen-2-yl)-3,6-dimethyl-5H-pyrimidin-4-one;5-[5-[(4S)-2-amino-5-imidazol-1-yl-1,4,5-trimethyl-6-oxopyrimidin-4-yl]thiophen-3-yl]-2-fluorobenzonitrile;N-[4-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)butyl]piperidine-2-carboxamide?

The InChIKey is HERUVGQNSILEOB-OEHCLESKSA-N. The full InChI is InChI=1S/C25H31N5O2.C21H19FN6OS.C18H17N5O.C18H20N4OS.C17H16ClFN4O.C10H12FN3OS/c26-24-29-25(19-11-3-1-4-12-19,20-13-5-2-6-14-20)23(32)30(24)18-10-9-17-28-22(31)21-15-7-8-16-27-21;1-20(17-9-15(11-30-17)13-4-5-16(22)14(8-13)10-23)21(2,28-7-6-25-12-28)18(29)27(3)19(24)26-20;1-18(8-16(24)23(2)17(20)22-18)15-7-14(10-21-11-15)13-5-3-4-12(6-13)9-19;1-18(7-16(23)22(2)17(19)21-18)15-6-14(10-24-15)13-5-12(8-20-9-13)11-3-4-11;1-17(9-15(24)23(2)16(20)22-17)14-5-3-4-13(21-14)10-6-7-12(19)11(18)8-10;1-10(8-6(11)3-4-16-8)5-7(15)14(2)9(12)13-10/h1-6,11-14,21,27H,7-10,15-18H2,(H2,26,29)(H,28,31);4-9,11-12H,1-3H3,(H2,24,26);3-7,10-11H,8H2,1-2H3,(H2,20,22);5-6,8-11H,3-4,7H2,1-2H3,(H2,19,21);3-8H,9H2,1-2H3,(H2,20,22);3-4H,5H2,1-2H3,(H2,12,13)/t;20-,21?;2*18-;17-;10-/m.10000/s1.

What are the key properties of (6S)-2-amino-6-[6-(3-chloro-4-fluorophenyl)-2-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-[4-(5-cyclopropyl-3-pyridinyl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-3-pyridinyl]benzonitrile;(6S)-2-amino-6-(3-fluorothiophen-2-yl)-3,6-dimethyl-5H-pyrimidin-4-one;5-[5-[(4S)-2-amino-5-imidazol-1-yl-1,4,5-trimethyl-6-oxopyrimidin-4-yl]thiophen-3-yl]-2-fluorobenzonitrile;N-[4-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)butyl]piperidine-2-carboxamide?

(6S)-2-amino-6-[6-(3-chloro-4-fluorophenyl)-2-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-[4-(5-cyclopropyl-3-pyridinyl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-3-pyridinyl]benzonitrile;(6S)-2-amino-6-(3-fluorothiophen-2-yl)-3,6-dimethyl-5H-pyrimidin-4-one;5-[5-[(4S)-2-amino-5-imidazol-1-yl-1,4,5-trimethyl-6-oxopyrimidin-4-yl]thiophen-3-yl]-2-fluorobenzonitrile;N-[4-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)butyl]piperidine-2-carboxamide has a molecular weight of 2103.95 g/mol, XLogP of 14.47, 19 rotatable bonds, 8 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for (6S)-2-amino-6-[6-(3-chloro-4-fluorophenyl)-2-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-[4-(5-cyclopropyl-3-pyridinyl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-3-pyridinyl]benzonitrile;(6S)-2-amino-6-(3-fluorothiophen-2-yl)-3,6-dimethyl-5H-pyrimidin-4-one;5-[5-[(4S)-2-amino-5-imidazol-1-yl-1,4,5-trimethyl-6-oxopyrimidin-4-yl]thiophen-3-yl]-2-fluorobenzonitrile;N-[4-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)butyl]piperidine-2-carboxamide is sourced from PubChem (CID 158457032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).