(5S,6S)-2-amino-5-(4-tert-butylphenyl)-3,6-dimethyl-6-phenyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-(4-tert-butylphenyl)-3,6-dimethyl-6-phenyl-5H-pyrimidin-4-one;(5S,6S)-2-amino-5-(4-cyclopropylphenyl)-6-[4-(2-fluoro-3-pyridinyl)-2-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-[4-(3-methyl-5-propoxyphenyl)thiophen-2-yl]-5H-pyrimidin-4-one;N-[4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]cyclopentanecarboxamide

C117H131FN18O7S — CID 157060290

About (5S,6S)-2-amino-5-(4-tert-butylphenyl)-3,6-dimethyl-6-phenyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-(4-tert-butylphenyl)-3,6-dimethyl-6-phenyl-5H-pyrimidin-4-one;(5S,6S)-2-amino-5-(4-cyclopropylphenyl)-6-[4-(2-fluoro-3-pyridinyl)-2-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-[4-(3-methyl-5-propoxyphenyl)thiophen-2-yl]-5H-pyrimidin-4-one;N-[4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]cyclopentanecarboxamide

(5S,6S)-2-amino-5-(4-tert-butylphenyl)-3,6-dimethyl-6-phenyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-(4-tert-butylphenyl)-3,6-dimethyl-6-phenyl-5H-pyrimidin-4-one;(5S,6S)-2-amino-5-(4-cyclopropylphenyl)-6-[4-(2-fluoro-3-pyridinyl)-2-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-[4-(3-methyl-5-propoxyphenyl)thiophen-2-yl]-5H-pyrimidin-4-one;N-[4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]cyclopentanecarboxamide (PubChem CID 157060290) has the molecular formula C117H131FN18O7S and a molecular weight of 1952.52 g/mol. Its IUPAC name is (5S,6S)-2-amino-5-(4-tert-butylphenyl)-3,6-dimethyl-6-phenyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-(4-tert-butylphenyl)-3,6-dimethyl-6-phenyl-5H-pyrimidin-4-one;(5S,6S)-2-amino-5-(4-cyclopropylphenyl)-6-[4-(2-fluoro-3-pyridinyl)-2-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-[4-(3-methyl-5-propoxyphenyl)thiophen-2-yl]-5H-pyrimidin-4-one;N-[4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]cyclopentanecarboxamide.

Molecular Properties

• Compound Name: (5S,6S)-2-amino-5-(4-tert-butylphenyl)-3,6-dimethyl-6-phenyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-(4-tert-butylphenyl)-3,6-dimethyl-6-phenyl-5H-pyrimidin-4-one;(5S,6S)-2-amino-5-(4-cyclopropylphenyl)-6-[4-(2-fluoro-3-pyridinyl)-2-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-[4-(3-methyl-5-propoxyphenyl)thiophen-2-yl]-5H-pyrimidin-4-one;N-[4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]cyclopentanecarboxamide
• PubChem CID: 157060290
• Molecular Formula: C117H131FN18O7S
• Molecular Weight: 1952.52 g/mol
• Exact Mass: 1951.02
• IUPAC Name: (5S,6S)-2-amino-5-(4-tert-butylphenyl)-3,6-dimethyl-6-phenyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-(4-tert-butylphenyl)-3,6-dimethyl-6-phenyl-5H-pyrimidin-4-one;(5S,6S)-2-amino-5-(4-cyclopropylphenyl)-6-[4-(2-fluoro-3-pyridinyl)-2-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-[4-(3-methyl-5-propoxyphenyl)thiophen-2-yl]-5H-pyrimidin-4-one;N-[4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]cyclopentanecarboxamide
• SMILES: CCCOc1cc(C)cc(-c2csc([C@]3(C)CC(=O)N(C)C(N)=N3)c2)c1.CN1C(=O)[C@@H](c2ccc(C(C)(C)C)cc2)[C@@](C)(c2ccccc2)N=C1N.CN1C(=O)[C@@H](c2ccc(C3CC3)cc2)[C@@](C)(c2cc(-c3cccnc3F)ccn2)N=C1N.CN1C(=O)[C@H](c2ccc(C(C)(C)C)cc2)[C@@](C)(c2ccccc2)N=C1N.NC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1Cc1ccc(NC(=O)C2CCCC2)cc1
• InChI: InChI=1S/C28H28N4O2.C25H24FN5O.2C22H27N3O.C20H25N3O2S/c29-27-31-28(22-11-3-1-4-12-22,23-13-5-2-6-14-23)26(34)32(27)19-20-15-17-24(18-16-20)30-25(33)21-9-7-8-10-21;1-25(20-14-18(11-13-28-20)19-4-3-12-29-22(19)26)21(23(32)31(2)24(27)30-25)17-9-7-16(8-10-17)15-5-6-15;2*1-21(2,3)16-13-11-15(12-14-16)18-19(26)25(5)20(23)24-22(18,4)17-9-7-6-8-10-17;1-5-6-25-16-8-13(2)7-14(9-16)15-10-17(26-12-15)20(3)11-18(24)23(4)19(21)22-20/h1-6,11-18,21H,7-10,19H2,(H2,29,31)(H,30,33);3-4,7-15,21H,5-6H2,1-2H3,(H2,27,30);2*6-14,18H,1-5H3,(H2,23,24);7-10,12H,5-6,11H2,1-4H3,(H2,21,22)/t;21-,25-;18-,22+;18-,22-;20-/m.1010/s1
• InChIKey: ABGHAFFNIFRADO-URNOQRACSA-N
• XLogP: 19.81
• TPSA: 357.56 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 20
• Rotatable Bonds: 19
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1952.52
LogP ≤ 5	19.81
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (5S,6S)-2-amino-5-(4-tert-butylphenyl)-3,6-dimethyl-6-phenyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-(4-tert-butylphenyl)-3,6-dimethyl-6-phenyl-5H-pyrimidin-4-one;(5S,6S)-2-amino-5-(4-cyclopropylphenyl)-6-[4-(2-fluoro-3-pyridinyl)-2-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-[4-(3-methyl-5-propoxyphenyl)thiophen-2-yl]-5H-pyrimidin-4-one;N-[4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]cyclopentanecarboxamide?

The IUPAC name of (5S,6S)-2-amino-5-(4-tert-butylphenyl)-3,6-dimethyl-6-phenyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-(4-tert-butylphenyl)-3,6-dimethyl-6-phenyl-5H-pyrimidin-4-one;(5S,6S)-2-amino-5-(4-cyclopropylphenyl)-6-[4-(2-fluoro-3-pyridinyl)-2-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-[4-(3-methyl-5-propoxyphenyl)thiophen-2-yl]-5H-pyrimidin-4-one;N-[4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]cyclopentanecarboxamide (CID 157060290) is (5S,6S)-2-amino-5-(4-tert-butylphenyl)-3,6-dimethyl-6-phenyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-(4-tert-butylphenyl)-3,6-dimethyl-6-phenyl-5H-pyrimidin-4-one;(5S,6S)-2-amino-5-(4-cyclopropylphenyl)-6-[4-(2-fluoro-3-pyridinyl)-2-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-[4-(3-methyl-5-propoxyphenyl)thiophen-2-yl]-5H-pyrimidin-4-one;N-[4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]cyclopentanecarboxamide.

What is the SMILES notation for (5S,6S)-2-amino-5-(4-tert-butylphenyl)-3,6-dimethyl-6-phenyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-(4-tert-butylphenyl)-3,6-dimethyl-6-phenyl-5H-pyrimidin-4-one;(5S,6S)-2-amino-5-(4-cyclopropylphenyl)-6-[4-(2-fluoro-3-pyridinyl)-2-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-[4-(3-methyl-5-propoxyphenyl)thiophen-2-yl]-5H-pyrimidin-4-one;N-[4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]cyclopentanecarboxamide?

The canonical SMILES for (5S,6S)-2-amino-5-(4-tert-butylphenyl)-3,6-dimethyl-6-phenyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-(4-tert-butylphenyl)-3,6-dimethyl-6-phenyl-5H-pyrimidin-4-one;(5S,6S)-2-amino-5-(4-cyclopropylphenyl)-6-[4-(2-fluoro-3-pyridinyl)-2-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-[4-(3-methyl-5-propoxyphenyl)thiophen-2-yl]-5H-pyrimidin-4-one;N-[4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]cyclopentanecarboxamide is CCCOc1cc(C)cc(-c2csc([C@]3(C)CC(=O)N(C)C(N)=N3)c2)c1.CN1C(=O)[C@@H](c2ccc(C(C)(C)C)cc2)[C@@](C)(c2ccccc2)N=C1N.CN1C(=O)[C@@H](c2ccc(C3CC3)cc2)[C@@](C)(c2cc(-c3cccnc3F)ccn2)N=C1N.CN1C(=O)[C@H](c2ccc(C(C)(C)C)cc2)[C@@](C)(c2ccccc2)N=C1N.NC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1Cc1ccc(NC(=O)C2CCCC2)cc1.

What is the InChIKey of (5S,6S)-2-amino-5-(4-tert-butylphenyl)-3,6-dimethyl-6-phenyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-(4-tert-butylphenyl)-3,6-dimethyl-6-phenyl-5H-pyrimidin-4-one;(5S,6S)-2-amino-5-(4-cyclopropylphenyl)-6-[4-(2-fluoro-3-pyridinyl)-2-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-[4-(3-methyl-5-propoxyphenyl)thiophen-2-yl]-5H-pyrimidin-4-one;N-[4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]cyclopentanecarboxamide?

The InChIKey is ABGHAFFNIFRADO-URNOQRACSA-N. The full InChI is InChI=1S/C28H28N4O2.C25H24FN5O.2C22H27N3O.C20H25N3O2S/c29-27-31-28(22-11-3-1-4-12-22,23-13-5-2-6-14-23)26(34)32(27)19-20-15-17-24(18-16-20)30-25(33)21-9-7-8-10-21;1-25(20-14-18(11-13-28-20)19-4-3-12-29-22(19)26)21(23(32)31(2)24(27)30-25)17-9-7-16(8-10-17)15-5-6-15;2*1-21(2,3)16-13-11-15(12-14-16)18-19(26)25(5)20(23)24-22(18,4)17-9-7-6-8-10-17;1-5-6-25-16-8-13(2)7-14(9-16)15-10-17(26-12-15)20(3)11-18(24)23(4)19(21)22-20/h1-6,11-18,21H,7-10,19H2,(H2,29,31)(H,30,33);3-4,7-15,21H,5-6H2,1-2H3,(H2,27,30);2*6-14,18H,1-5H3,(H2,23,24);7-10,12H,5-6,11H2,1-4H3,(H2,21,22)/t;21-,25-;18-,22+;18-,22-;20-/m.1010/s1.

What are the key properties of (5S,6S)-2-amino-5-(4-tert-butylphenyl)-3,6-dimethyl-6-phenyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-(4-tert-butylphenyl)-3,6-dimethyl-6-phenyl-5H-pyrimidin-4-one;(5S,6S)-2-amino-5-(4-cyclopropylphenyl)-6-[4-(2-fluoro-3-pyridinyl)-2-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-[4-(3-methyl-5-propoxyphenyl)thiophen-2-yl]-5H-pyrimidin-4-one;N-[4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]cyclopentanecarboxamide?

(5S,6S)-2-amino-5-(4-tert-butylphenyl)-3,6-dimethyl-6-phenyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-(4-tert-butylphenyl)-3,6-dimethyl-6-phenyl-5H-pyrimidin-4-one;(5S,6S)-2-amino-5-(4-cyclopropylphenyl)-6-[4-(2-fluoro-3-pyridinyl)-2-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-[4-(3-methyl-5-propoxyphenyl)thiophen-2-yl]-5H-pyrimidin-4-one;N-[4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]cyclopentanecarboxamide has a molecular weight of 1952.52 g/mol, XLogP of 19.81, 19 rotatable bonds, 6 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for (5S,6S)-2-amino-5-(4-tert-butylphenyl)-3,6-dimethyl-6-phenyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-(4-tert-butylphenyl)-3,6-dimethyl-6-phenyl-5H-pyrimidin-4-one;(5S,6S)-2-amino-5-(4-cyclopropylphenyl)-6-[4-(2-fluoro-3-pyridinyl)-2-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-[4-(3-methyl-5-propoxyphenyl)thiophen-2-yl]-5H-pyrimidin-4-one;N-[4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]cyclopentanecarboxamide is sourced from PubChem (CID 157060290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).