(6S)-2-amino-6-(3-chloro-5-methylthiophen-2-yl)-5-[4-(1,1-difluoroethyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one;(5S,6S)-2-amino-6-[4-(3-chlorophenyl)-2-pyridinyl]-5-(4-cyclopropylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;2-amino-3-[[3-(4-methoxyphenyl)phenyl]methyl]-5,5-diphenylimidazol-4-one

C74H70Cl2F2N10O4S — CID 158565270

About (6S)-2-amino-6-(3-chloro-5-methylthiophen-2-yl)-5-[4-(1,1-difluoroethyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one;(5S,6S)-2-amino-6-[4-(3-chlorophenyl)-2-pyridinyl]-5-(4-cyclopropylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;2-amino-3-[[3-(4-methoxyphenyl)phenyl]methyl]-5,5-diphenylimidazol-4-one

(6S)-2-amino-6-(3-chloro-5-methylthiophen-2-yl)-5-[4-(1,1-difluoroethyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one;(5S,6S)-2-amino-6-[4-(3-chlorophenyl)-2-pyridinyl]-5-(4-cyclopropylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;2-amino-3-[[3-(4-methoxyphenyl)phenyl]methyl]-5,5-diphenylimidazol-4-one (PubChem CID 158565270) has the molecular formula C74H70Cl2F2N10O4S and a molecular weight of 1304.41 g/mol. Its IUPAC name is (6S)-2-amino-6-(3-chloro-5-methylthiophen-2-yl)-5-[4-(1,1-difluoroethyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one;(5S,6S)-2-amino-6-[4-(3-chlorophenyl)-2-pyridinyl]-5-(4-cyclopropylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;2-amino-3-[[3-(4-methoxyphenyl)phenyl]methyl]-5,5-diphenylimidazol-4-one.

Molecular Properties

• Compound Name: (6S)-2-amino-6-(3-chloro-5-methylthiophen-2-yl)-5-[4-(1,1-difluoroethyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one;(5S,6S)-2-amino-6-[4-(3-chlorophenyl)-2-pyridinyl]-5-(4-cyclopropylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;2-amino-3-[[3-(4-methoxyphenyl)phenyl]methyl]-5,5-diphenylimidazol-4-one
• PubChem CID: 158565270
• Molecular Formula: C74H70Cl2F2N10O4S
• Molecular Weight: 1304.41 g/mol
• Exact Mass: 1302.46
• IUPAC Name: (6S)-2-amino-6-(3-chloro-5-methylthiophen-2-yl)-5-[4-(1,1-difluoroethyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one;(5S,6S)-2-amino-6-[4-(3-chlorophenyl)-2-pyridinyl]-5-(4-cyclopropylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;2-amino-3-[[3-(4-methoxyphenyl)phenyl]methyl]-5,5-diphenylimidazol-4-one
• SMILES: CN1C(=O)[C@@H](c2ccc(C3CC3)cc2)[C@@](C)(c2cc(-c3cccc(Cl)c3)ccn2)N=C1N.COc1ccc(-c2cccc(CN3C(=O)C(c4ccccc4)(c4ccccc4)N=C3N)c2)cc1.Cc1cc(Cl)c([C@@]2(C)N=C(N)N(C)C(=O)C2c2ccc(C(C)(F)F)cc2)s1
• InChI: InChI=1S/C29H25N3O2.C26H25ClN4O.C19H20ClF2N3OS/c1-34-26-17-15-22(16-18-26)23-10-8-9-21(19-23)20-32-27(33)29(31-28(32)30,24-11-4-2-5-12-24)25-13-6-3-7-14-25;1-26(22-15-20(12-13-29-22)19-4-3-5-21(27)14-19)23(24(32)31(2)25(28)30-26)18-10-8-17(9-11-18)16-6-7-16;1-10-9-13(20)15(27-10)18(2)14(16(26)25(4)17(23)24-18)11-5-7-12(8-6-11)19(3,21)22/h2-19H,20H2,1H3,(H2,30,31);3-5,8-16,23H,6-7H2,1-2H3,(H2,28,30);5-9,14H,1-4H3,(H2,23,24)/t;23-,26-;14?,18-/m.10/s1
• InChIKey: HRJXPKJNKMTGQF-DILFAYRLSA-N
• XLogP: 14.64
• TPSA: 198.19 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 12
• Rotatable Bonds: 13
• Heavy Atoms: 93
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1304.41
LogP ≤ 5	14.64
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of (6S)-2-amino-6-(3-chloro-5-methylthiophen-2-yl)-5-[4-(1,1-difluoroethyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one;(5S,6S)-2-amino-6-[4-(3-chlorophenyl)-2-pyridinyl]-5-(4-cyclopropylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;2-amino-3-[[3-(4-methoxyphenyl)phenyl]methyl]-5,5-diphenylimidazol-4-one?

The IUPAC name of (6S)-2-amino-6-(3-chloro-5-methylthiophen-2-yl)-5-[4-(1,1-difluoroethyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one;(5S,6S)-2-amino-6-[4-(3-chlorophenyl)-2-pyridinyl]-5-(4-cyclopropylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;2-amino-3-[[3-(4-methoxyphenyl)phenyl]methyl]-5,5-diphenylimidazol-4-one (CID 158565270) is (6S)-2-amino-6-(3-chloro-5-methylthiophen-2-yl)-5-[4-(1,1-difluoroethyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one;(5S,6S)-2-amino-6-[4-(3-chlorophenyl)-2-pyridinyl]-5-(4-cyclopropylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;2-amino-3-[[3-(4-methoxyphenyl)phenyl]methyl]-5,5-diphenylimidazol-4-one.

What is the SMILES notation for (6S)-2-amino-6-(3-chloro-5-methylthiophen-2-yl)-5-[4-(1,1-difluoroethyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one;(5S,6S)-2-amino-6-[4-(3-chlorophenyl)-2-pyridinyl]-5-(4-cyclopropylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;2-amino-3-[[3-(4-methoxyphenyl)phenyl]methyl]-5,5-diphenylimidazol-4-one?

The canonical SMILES for (6S)-2-amino-6-(3-chloro-5-methylthiophen-2-yl)-5-[4-(1,1-difluoroethyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one;(5S,6S)-2-amino-6-[4-(3-chlorophenyl)-2-pyridinyl]-5-(4-cyclopropylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;2-amino-3-[[3-(4-methoxyphenyl)phenyl]methyl]-5,5-diphenylimidazol-4-one is CN1C(=O)[C@@H](c2ccc(C3CC3)cc2)[C@@](C)(c2cc(-c3cccc(Cl)c3)ccn2)N=C1N.COc1ccc(-c2cccc(CN3C(=O)C(c4ccccc4)(c4ccccc4)N=C3N)c2)cc1.Cc1cc(Cl)c([C@@]2(C)N=C(N)N(C)C(=O)C2c2ccc(C(C)(F)F)cc2)s1.

What is the InChIKey of (6S)-2-amino-6-(3-chloro-5-methylthiophen-2-yl)-5-[4-(1,1-difluoroethyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one;(5S,6S)-2-amino-6-[4-(3-chlorophenyl)-2-pyridinyl]-5-(4-cyclopropylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;2-amino-3-[[3-(4-methoxyphenyl)phenyl]methyl]-5,5-diphenylimidazol-4-one?

The InChIKey is HRJXPKJNKMTGQF-DILFAYRLSA-N. The full InChI is InChI=1S/C29H25N3O2.C26H25ClN4O.C19H20ClF2N3OS/c1-34-26-17-15-22(16-18-26)23-10-8-9-21(19-23)20-32-27(33)29(31-28(32)30,24-11-4-2-5-12-24)25-13-6-3-7-14-25;1-26(22-15-20(12-13-29-22)19-4-3-5-21(27)14-19)23(24(32)31(2)25(28)30-26)18-10-8-17(9-11-18)16-6-7-16;1-10-9-13(20)15(27-10)18(2)14(16(26)25(4)17(23)24-18)11-5-7-12(8-6-11)19(3,21)22/h2-19H,20H2,1H3,(H2,30,31);3-5,8-16,23H,6-7H2,1-2H3,(H2,28,30);5-9,14H,1-4H3,(H2,23,24)/t;23-,26-;14?,18-/m.10/s1.

What are the key properties of (6S)-2-amino-6-(3-chloro-5-methylthiophen-2-yl)-5-[4-(1,1-difluoroethyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one;(5S,6S)-2-amino-6-[4-(3-chlorophenyl)-2-pyridinyl]-5-(4-cyclopropylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;2-amino-3-[[3-(4-methoxyphenyl)phenyl]methyl]-5,5-diphenylimidazol-4-one?

(6S)-2-amino-6-(3-chloro-5-methylthiophen-2-yl)-5-[4-(1,1-difluoroethyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one;(5S,6S)-2-amino-6-[4-(3-chlorophenyl)-2-pyridinyl]-5-(4-cyclopropylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;2-amino-3-[[3-(4-methoxyphenyl)phenyl]methyl]-5,5-diphenylimidazol-4-one has a molecular weight of 1304.41 g/mol, XLogP of 14.64, 13 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for (6S)-2-amino-6-(3-chloro-5-methylthiophen-2-yl)-5-[4-(1,1-difluoroethyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one;(5S,6S)-2-amino-6-[4-(3-chlorophenyl)-2-pyridinyl]-5-(4-cyclopropylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;2-amino-3-[[3-(4-methoxyphenyl)phenyl]methyl]-5,5-diphenylimidazol-4-one is sourced from PubChem (CID 158565270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).