(6S)-2-amino-6-[5-[5-(5-chloro-3-pyridinyl)-3-pyridinyl]-1,3-thiazol-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;3-[(4S,5S)-2-amino-5-(4-cyclopropylphenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]benzonitrile;3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5-(3-phenylpropyl)-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;2-amino-5,5-diphenyl-3-[(3-pyrimidin-5-ylphenyl)methyl]imidazol-4-one;2-amino-3-methyl-5-[5-(3-methylphenyl)thiophen-2-yl]-5-phenylimidazol-4-one;2-amino-3-methyl-5-phenyl-5-(3-pyridin-3-ylphenyl)imidazol-4-one

C135H123ClN26O6S3 — CID 159809956

About (6S)-2-amino-6-[5-[5-(5-chloro-3-pyridinyl)-3-pyridinyl]-1,3-thiazol-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;3-[(4S,5S)-2-amino-5-(4-cyclopropylphenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]benzonitrile;3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5-(3-phenylpropyl)-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;2-amino-5,5-diphenyl-3-[(3-pyrimidin-5-ylphenyl)methyl]imidazol-4-one;2-amino-3-methyl-5-[5-(3-methylphenyl)thiophen-2-yl]-5-phenylimidazol-4-one;2-amino-3-methyl-5-phenyl-5-(3-pyridin-3-ylphenyl)imidazol-4-one

(6S)-2-amino-6-[5-[5-(5-chloro-3-pyridinyl)-3-pyridinyl]-1,3-thiazol-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;3-[(4S,5S)-2-amino-5-(4-cyclopropylphenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]benzonitrile;3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5-(3-phenylpropyl)-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;2-amino-5,5-diphenyl-3-[(3-pyrimidin-5-ylphenyl)methyl]imidazol-4-one;2-amino-3-methyl-5-[5-(3-methylphenyl)thiophen-2-yl]-5-phenylimidazol-4-one;2-amino-3-methyl-5-phenyl-5-(3-pyridin-3-ylphenyl)imidazol-4-one (PubChem CID 159809956) has the molecular formula C135H123ClN26O6S3 and a molecular weight of 2337.30 g/mol. Its IUPAC name is (6S)-2-amino-6-[5-[5-(5-chloro-3-pyridinyl)-3-pyridinyl]-1,3-thiazol-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;3-[(4S,5S)-2-amino-5-(4-cyclopropylphenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]benzonitrile;3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5-(3-phenylpropyl)-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;2-amino-5,5-diphenyl-3-[(3-pyrimidin-5-ylphenyl)methyl]imidazol-4-one;2-amino-3-methyl-5-[5-(3-methylphenyl)thiophen-2-yl]-5-phenylimidazol-4-one;2-amino-3-methyl-5-phenyl-5-(3-pyridin-3-ylphenyl)imidazol-4-one.

Molecular Properties

• Compound Name: (6S)-2-amino-6-[5-[5-(5-chloro-3-pyridinyl)-3-pyridinyl]-1,3-thiazol-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;3-[(4S,5S)-2-amino-5-(4-cyclopropylphenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]benzonitrile;3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5-(3-phenylpropyl)-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;2-amino-5,5-diphenyl-3-[(3-pyrimidin-5-ylphenyl)methyl]imidazol-4-one;2-amino-3-methyl-5-[5-(3-methylphenyl)thiophen-2-yl]-5-phenylimidazol-4-one;2-amino-3-methyl-5-phenyl-5-(3-pyridin-3-ylphenyl)imidazol-4-one
• PubChem CID: 159809956
• Molecular Formula: C135H123ClN26O6S3
• Molecular Weight: 2337.30 g/mol
• Exact Mass: 2334.90
• IUPAC Name: (6S)-2-amino-6-[5-[5-(5-chloro-3-pyridinyl)-3-pyridinyl]-1,3-thiazol-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;3-[(4S,5S)-2-amino-5-(4-cyclopropylphenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]benzonitrile;3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5-(3-phenylpropyl)-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;2-amino-5,5-diphenyl-3-[(3-pyrimidin-5-ylphenyl)methyl]imidazol-4-one;2-amino-3-methyl-5-[5-(3-methylphenyl)thiophen-2-yl]-5-phenylimidazol-4-one;2-amino-3-methyl-5-phenyl-5-(3-pyridin-3-ylphenyl)imidazol-4-one
• SMILES: CN1C(=O)C(CCCc2ccccc2)[C@@](C)(c2cc(-c3cccc(C#N)c3)cs2)N=C1N.CN1C(=O)C(c2ccccc2)(c2cccc(-c3cccnc3)c2)N=C1N.CN1C(=O)C[C@@](C)(c2ncc(-c3cncc(-c4cncc(Cl)c4)c3)s2)N=C1N.CN1C(=O)[C@@H](c2ccc(C3CC3)cc2)[C@@](C)(c2cccc(C#N)c2)N=C1N.Cc1cccc(-c2ccc(C3(c4ccccc4)N=C(N)N(C)C3=O)s2)c1.NC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1Cc1cccc(-c2cncnc2)c1
• InChI: InChI=1S/C26H21N5O.C26H26N4OS.C22H22N4O.C21H18N4O.C21H19N3OS.C19H17ClN6OS/c27-25-30-26(22-10-3-1-4-11-22,23-12-5-2-6-13-23)24(32)31(25)17-19-8-7-9-20(14-19)21-15-28-18-29-16-21;1-26(23-15-21(17-32-23)20-12-6-11-19(14-20)16-27)22(24(31)30(2)25(28)29-26)13-7-10-18-8-4-3-5-9-18;1-22(18-5-3-4-14(12-18)13-23)19(20(27)26(2)21(24)25-22)17-10-8-16(9-11-17)15-6-7-15;1-25-19(26)21(24-20(25)22,17-9-3-2-4-10-17)18-11-5-7-15(13-18)16-8-6-12-23-14-16;1-14-7-6-8-15(13-14)17-11-12-18(26-17)21(16-9-4-3-5-10-16)19(25)24(2)20(22)23-21;1-19(5-16(27)26(2)18(21)25-19)17-24-10-15(28-17)13-3-11(6-22-8-13)12-4-14(20)9-23-7-12/h1-16,18H,17H2,(H2,27,30);3-6,8-9,11-12,14-15,17,22H,7,10,13H2,1-2H3,(H2,28,29);3-5,8-12,15,19H,6-7H2,1-2H3,(H2,24,25);2-14H,1H3,(H2,22,24);3-13H,1-2H3,(H2,22,23);3-4,6-10H,5H2,1-2H3,(H2,21,25)/t;22?,26-;19-,22-;;;19-/m.01..0/s1
• InChIKey: NKWWRCGDSRVVGN-GXBBZIJYSA-N
• XLogP: 21.74
• TPSA: 477.06 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 29
• Rotatable Bonds: 23
• Heavy Atoms: 171
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2337.30
LogP ≤ 5	21.74
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	29

Frequently Asked Questions

What is the IUPAC name of (6S)-2-amino-6-[5-[5-(5-chloro-3-pyridinyl)-3-pyridinyl]-1,3-thiazol-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;3-[(4S,5S)-2-amino-5-(4-cyclopropylphenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]benzonitrile;3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5-(3-phenylpropyl)-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;2-amino-5,5-diphenyl-3-[(3-pyrimidin-5-ylphenyl)methyl]imidazol-4-one;2-amino-3-methyl-5-[5-(3-methylphenyl)thiophen-2-yl]-5-phenylimidazol-4-one;2-amino-3-methyl-5-phenyl-5-(3-pyridin-3-ylphenyl)imidazol-4-one?

The IUPAC name of (6S)-2-amino-6-[5-[5-(5-chloro-3-pyridinyl)-3-pyridinyl]-1,3-thiazol-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;3-[(4S,5S)-2-amino-5-(4-cyclopropylphenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]benzonitrile;3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5-(3-phenylpropyl)-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;2-amino-5,5-diphenyl-3-[(3-pyrimidin-5-ylphenyl)methyl]imidazol-4-one;2-amino-3-methyl-5-[5-(3-methylphenyl)thiophen-2-yl]-5-phenylimidazol-4-one;2-amino-3-methyl-5-phenyl-5-(3-pyridin-3-ylphenyl)imidazol-4-one (CID 159809956) is (6S)-2-amino-6-[5-[5-(5-chloro-3-pyridinyl)-3-pyridinyl]-1,3-thiazol-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;3-[(4S,5S)-2-amino-5-(4-cyclopropylphenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]benzonitrile;3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5-(3-phenylpropyl)-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;2-amino-5,5-diphenyl-3-[(3-pyrimidin-5-ylphenyl)methyl]imidazol-4-one;2-amino-3-methyl-5-[5-(3-methylphenyl)thiophen-2-yl]-5-phenylimidazol-4-one;2-amino-3-methyl-5-phenyl-5-(3-pyridin-3-ylphenyl)imidazol-4-one.

What is the SMILES notation for (6S)-2-amino-6-[5-[5-(5-chloro-3-pyridinyl)-3-pyridinyl]-1,3-thiazol-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;3-[(4S,5S)-2-amino-5-(4-cyclopropylphenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]benzonitrile;3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5-(3-phenylpropyl)-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;2-amino-5,5-diphenyl-3-[(3-pyrimidin-5-ylphenyl)methyl]imidazol-4-one;2-amino-3-methyl-5-[5-(3-methylphenyl)thiophen-2-yl]-5-phenylimidazol-4-one;2-amino-3-methyl-5-phenyl-5-(3-pyridin-3-ylphenyl)imidazol-4-one?

The canonical SMILES for (6S)-2-amino-6-[5-[5-(5-chloro-3-pyridinyl)-3-pyridinyl]-1,3-thiazol-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;3-[(4S,5S)-2-amino-5-(4-cyclopropylphenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]benzonitrile;3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5-(3-phenylpropyl)-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;2-amino-5,5-diphenyl-3-[(3-pyrimidin-5-ylphenyl)methyl]imidazol-4-one;2-amino-3-methyl-5-[5-(3-methylphenyl)thiophen-2-yl]-5-phenylimidazol-4-one;2-amino-3-methyl-5-phenyl-5-(3-pyridin-3-ylphenyl)imidazol-4-one is CN1C(=O)C(CCCc2ccccc2)[C@@](C)(c2cc(-c3cccc(C#N)c3)cs2)N=C1N.CN1C(=O)C(c2ccccc2)(c2cccc(-c3cccnc3)c2)N=C1N.CN1C(=O)C[C@@](C)(c2ncc(-c3cncc(-c4cncc(Cl)c4)c3)s2)N=C1N.CN1C(=O)[C@@H](c2ccc(C3CC3)cc2)[C@@](C)(c2cccc(C#N)c2)N=C1N.Cc1cccc(-c2ccc(C3(c4ccccc4)N=C(N)N(C)C3=O)s2)c1.NC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1Cc1cccc(-c2cncnc2)c1.

What is the InChIKey of (6S)-2-amino-6-[5-[5-(5-chloro-3-pyridinyl)-3-pyridinyl]-1,3-thiazol-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;3-[(4S,5S)-2-amino-5-(4-cyclopropylphenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]benzonitrile;3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5-(3-phenylpropyl)-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;2-amino-5,5-diphenyl-3-[(3-pyrimidin-5-ylphenyl)methyl]imidazol-4-one;2-amino-3-methyl-5-[5-(3-methylphenyl)thiophen-2-yl]-5-phenylimidazol-4-one;2-amino-3-methyl-5-phenyl-5-(3-pyridin-3-ylphenyl)imidazol-4-one?

The InChIKey is NKWWRCGDSRVVGN-GXBBZIJYSA-N. The full InChI is InChI=1S/C26H21N5O.C26H26N4OS.C22H22N4O.C21H18N4O.C21H19N3OS.C19H17ClN6OS/c27-25-30-26(22-10-3-1-4-11-22,23-12-5-2-6-13-23)24(32)31(25)17-19-8-7-9-20(14-19)21-15-28-18-29-16-21;1-26(23-15-21(17-32-23)20-12-6-11-19(14-20)16-27)22(24(31)30(2)25(28)29-26)13-7-10-18-8-4-3-5-9-18;1-22(18-5-3-4-14(12-18)13-23)19(20(27)26(2)21(24)25-22)17-10-8-16(9-11-17)15-6-7-15;1-25-19(26)21(24-20(25)22,17-9-3-2-4-10-17)18-11-5-7-15(13-18)16-8-6-12-23-14-16;1-14-7-6-8-15(13-14)17-11-12-18(26-17)21(16-9-4-3-5-10-16)19(25)24(2)20(22)23-21;1-19(5-16(27)26(2)18(21)25-19)17-24-10-15(28-17)13-3-11(6-22-8-13)12-4-14(20)9-23-7-12/h1-16,18H,17H2,(H2,27,30);3-6,8-9,11-12,14-15,17,22H,7,10,13H2,1-2H3,(H2,28,29);3-5,8-12,15,19H,6-7H2,1-2H3,(H2,24,25);2-14H,1H3,(H2,22,24);3-13H,1-2H3,(H2,22,23);3-4,6-10H,5H2,1-2H3,(H2,21,25)/t;22?,26-;19-,22-;;;19-/m.01..0/s1.

What are the key properties of (6S)-2-amino-6-[5-[5-(5-chloro-3-pyridinyl)-3-pyridinyl]-1,3-thiazol-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;3-[(4S,5S)-2-amino-5-(4-cyclopropylphenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]benzonitrile;3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5-(3-phenylpropyl)-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;2-amino-5,5-diphenyl-3-[(3-pyrimidin-5-ylphenyl)methyl]imidazol-4-one;2-amino-3-methyl-5-[5-(3-methylphenyl)thiophen-2-yl]-5-phenylimidazol-4-one;2-amino-3-methyl-5-phenyl-5-(3-pyridin-3-ylphenyl)imidazol-4-one?

(6S)-2-amino-6-[5-[5-(5-chloro-3-pyridinyl)-3-pyridinyl]-1,3-thiazol-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;3-[(4S,5S)-2-amino-5-(4-cyclopropylphenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]benzonitrile;3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5-(3-phenylpropyl)-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;2-amino-5,5-diphenyl-3-[(3-pyrimidin-5-ylphenyl)methyl]imidazol-4-one;2-amino-3-methyl-5-[5-(3-methylphenyl)thiophen-2-yl]-5-phenylimidazol-4-one;2-amino-3-methyl-5-phenyl-5-(3-pyridin-3-ylphenyl)imidazol-4-one has a molecular weight of 2337.30 g/mol, XLogP of 21.74, 23 rotatable bonds, 6 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for (6S)-2-amino-6-[5-[5-(5-chloro-3-pyridinyl)-3-pyridinyl]-1,3-thiazol-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;3-[(4S,5S)-2-amino-5-(4-cyclopropylphenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]benzonitrile;3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5-(3-phenylpropyl)-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;2-amino-5,5-diphenyl-3-[(3-pyrimidin-5-ylphenyl)methyl]imidazol-4-one;2-amino-3-methyl-5-[5-(3-methylphenyl)thiophen-2-yl]-5-phenylimidazol-4-one;2-amino-3-methyl-5-phenyl-5-(3-pyridin-3-ylphenyl)imidazol-4-one is sourced from PubChem (CID 159809956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).