(5S,6S)-2-amino-6-(4-bromo-2-pyridinyl)-5-(4-cyclopropylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-(4-bromo-2-pyridinyl)-5-(4-cyclopropylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-(4-bromothiophen-2-yl)-5,5-difluoro-3,6-dimethylpyrimidin-4-one;(6S)-2-amino-6-(3-bromothiophen-2-yl)-5-[4-(difluoromethoxy)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-[7-(4-fluoro-3-methylphenyl)-1-benzothiophen-5-yl]-3,6-dimethyl-5H-pyrimidin-4-one;2-amino-5-[3-(furan-3-yl)phenyl]-3-methyl-5-phenylimidazol-4-one;(6S)-6-[3-(2-chloro-5-methoxyphenyl)phenyl]-6-methyl-2-methylimino-1,3-diazinan-4-one

C127H125Br4ClF5N23O10S3 — CID 161142232

About (5S,6S)-2-amino-6-(4-bromo-2-pyridinyl)-5-(4-cyclopropylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-(4-bromo-2-pyridinyl)-5-(4-cyclopropylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-(4-bromothiophen-2-yl)-5,5-difluoro-3,6-dimethylpyrimidin-4-one;(6S)-2-amino-6-(3-bromothiophen-2-yl)-5-[4-(difluoromethoxy)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-[7-(4-fluoro-3-methylphenyl)-1-benzothiophen-5-yl]-3,6-dimethyl-5H-pyrimidin-4-one;2-amino-5-[3-(furan-3-yl)phenyl]-3-methyl-5-phenylimidazol-4-one;(6S)-6-[3-(2-chloro-5-methoxyphenyl)phenyl]-6-methyl-2-methylimino-1,3-diazinan-4-one

(5S,6S)-2-amino-6-(4-bromo-2-pyridinyl)-5-(4-cyclopropylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-(4-bromo-2-pyridinyl)-5-(4-cyclopropylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-(4-bromothiophen-2-yl)-5,5-difluoro-3,6-dimethylpyrimidin-4-one;(6S)-2-amino-6-(3-bromothiophen-2-yl)-5-[4-(difluoromethoxy)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-[7-(4-fluoro-3-methylphenyl)-1-benzothiophen-5-yl]-3,6-dimethyl-5H-pyrimidin-4-one;2-amino-5-[3-(furan-3-yl)phenyl]-3-methyl-5-phenylimidazol-4-one;(6S)-6-[3-(2-chloro-5-methoxyphenyl)phenyl]-6-methyl-2-methylimino-1,3-diazinan-4-one (PubChem CID 161142232) has the molecular formula C127H125Br4ClF5N23O10S3 and a molecular weight of 2679.81 g/mol. Its IUPAC name is (5S,6S)-2-amino-6-(4-bromo-2-pyridinyl)-5-(4-cyclopropylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-(4-bromo-2-pyridinyl)-5-(4-cyclopropylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-(4-bromothiophen-2-yl)-5,5-difluoro-3,6-dimethylpyrimidin-4-one;(6S)-2-amino-6-(3-bromothiophen-2-yl)-5-[4-(difluoromethoxy)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-[7-(4-fluoro-3-methylphenyl)-1-benzothiophen-5-yl]-3,6-dimethyl-5H-pyrimidin-4-one;2-amino-5-[3-(furan-3-yl)phenyl]-3-methyl-5-phenylimidazol-4-one;(6S)-6-[3-(2-chloro-5-methoxyphenyl)phenyl]-6-methyl-2-methylimino-1,3-diazinan-4-one.

Molecular Properties

• Compound Name: (5S,6S)-2-amino-6-(4-bromo-2-pyridinyl)-5-(4-cyclopropylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-(4-bromo-2-pyridinyl)-5-(4-cyclopropylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-(4-bromothiophen-2-yl)-5,5-difluoro-3,6-dimethylpyrimidin-4-one;(6S)-2-amino-6-(3-bromothiophen-2-yl)-5-[4-(difluoromethoxy)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-[7-(4-fluoro-3-methylphenyl)-1-benzothiophen-5-yl]-3,6-dimethyl-5H-pyrimidin-4-one;2-amino-5-[3-(furan-3-yl)phenyl]-3-methyl-5-phenylimidazol-4-one;(6S)-6-[3-(2-chloro-5-methoxyphenyl)phenyl]-6-methyl-2-methylimino-1,3-diazinan-4-one
• PubChem CID: 161142232
• Molecular Formula: C127H125Br4ClF5N23O10S3
• Molecular Weight: 2679.81 g/mol
• Exact Mass: 2673.55
• IUPAC Name: (5S,6S)-2-amino-6-(4-bromo-2-pyridinyl)-5-(4-cyclopropylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-(4-bromo-2-pyridinyl)-5-(4-cyclopropylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-(4-bromothiophen-2-yl)-5,5-difluoro-3,6-dimethylpyrimidin-4-one;(6S)-2-amino-6-(3-bromothiophen-2-yl)-5-[4-(difluoromethoxy)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-[7-(4-fluoro-3-methylphenyl)-1-benzothiophen-5-yl]-3,6-dimethyl-5H-pyrimidin-4-one;2-amino-5-[3-(furan-3-yl)phenyl]-3-methyl-5-phenylimidazol-4-one;(6S)-6-[3-(2-chloro-5-methoxyphenyl)phenyl]-6-methyl-2-methylimino-1,3-diazinan-4-one
• SMILES: C/N=C1\NC(=O)C[C@@](C)(c2cccc(-c3cc(OC)ccc3Cl)c2)N1.CN1C(=O)C(F)(F)[C@@](C)(c2cc(Br)cs2)N=C1N.CN1C(=O)C(c2ccc(OC(F)F)cc2)[C@@](C)(c2sccc2Br)N=C1N.CN1C(=O)C(c2ccccc2)(c2cccc(-c3ccoc3)c2)N=C1N.CN1C(=O)[C@@H](c2ccc(C3CC3)cc2)[C@@](C)(c2cc(Br)ccn2)N=C1N.CN1C(=O)[C@H](c2ccc(C3CC3)cc2)[C@@](C)(c2cc(Br)ccn2)N=C1N.Cc1cc(-c2cc([C@]3(C)CC(=O)N(C)C(N)=N3)cc3ccsc23)ccc1F
• InChI: InChI=1S/C21H20FN3OS.2C20H21BrN4O.C20H17N3O2.C19H20ClN3O2.C17H16BrF2N3O2S.C10H10BrF2N3OS/c1-12-8-13(4-5-17(12)22)16-10-15(9-14-6-7-27-19(14)16)21(2)11-18(26)25(3)20(23)24-21;2*1-20(16-11-15(21)9-10-23-16)17(18(26)25(2)19(22)24-20)14-7-5-13(6-8-14)12-3-4-12;1-23-18(24)20(22-19(23)21,16-7-3-2-4-8-16)17-9-5-6-14(12-17)15-10-11-25-13-15;1-19(11-17(24)22-18(21-2)23-19)13-6-4-5-12(9-13)15-10-14(25-3)7-8-16(15)20;1-17(13-11(18)7-8-26-13)12(14(24)23(2)16(21)22-17)9-3-5-10(6-4-9)25-15(19)20;1-9(6-3-5(11)4-18-6)10(12,13)7(17)16(2)8(14)15-9/h4-10H,11H2,1-3H3,(H2,23,24);2*5-12,17H,3-4H2,1-2H3,(H2,22,24);2-13H,1H3,(H2,21,22);4-10H,11H2,1-3H3,(H2,21,22,23,24);3-8,12,15H,1-2H3,(H2,21,22);3-4H,1-2H3,(H2,14,15)/t21-;17-,20+;17-,20-;;19-;12?,17-;9-/m001.001/s1
• InChIKey: UNPDRPCXFBREQD-JHWAEAOYSA-N
• XLogP: 23.77
• TPSA: 463.01 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 28
• Rotatable Bonds: 19
• Heavy Atoms: 173
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2679.81
LogP ≤ 5	23.77
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (5S,6S)-2-amino-6-(4-bromo-2-pyridinyl)-5-(4-cyclopropylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-(4-bromo-2-pyridinyl)-5-(4-cyclopropylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-(4-bromothiophen-2-yl)-5,5-difluoro-3,6-dimethylpyrimidin-4-one;(6S)-2-amino-6-(3-bromothiophen-2-yl)-5-[4-(difluoromethoxy)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-[7-(4-fluoro-3-methylphenyl)-1-benzothiophen-5-yl]-3,6-dimethyl-5H-pyrimidin-4-one;2-amino-5-[3-(furan-3-yl)phenyl]-3-methyl-5-phenylimidazol-4-one;(6S)-6-[3-(2-chloro-5-methoxyphenyl)phenyl]-6-methyl-2-methylimino-1,3-diazinan-4-one?

The IUPAC name of (5S,6S)-2-amino-6-(4-bromo-2-pyridinyl)-5-(4-cyclopropylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-(4-bromo-2-pyridinyl)-5-(4-cyclopropylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-(4-bromothiophen-2-yl)-5,5-difluoro-3,6-dimethylpyrimidin-4-one;(6S)-2-amino-6-(3-bromothiophen-2-yl)-5-[4-(difluoromethoxy)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-[7-(4-fluoro-3-methylphenyl)-1-benzothiophen-5-yl]-3,6-dimethyl-5H-pyrimidin-4-one;2-amino-5-[3-(furan-3-yl)phenyl]-3-methyl-5-phenylimidazol-4-one;(6S)-6-[3-(2-chloro-5-methoxyphenyl)phenyl]-6-methyl-2-methylimino-1,3-diazinan-4-one (CID 161142232) is (5S,6S)-2-amino-6-(4-bromo-2-pyridinyl)-5-(4-cyclopropylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-(4-bromo-2-pyridinyl)-5-(4-cyclopropylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-(4-bromothiophen-2-yl)-5,5-difluoro-3,6-dimethylpyrimidin-4-one;(6S)-2-amino-6-(3-bromothiophen-2-yl)-5-[4-(difluoromethoxy)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-[7-(4-fluoro-3-methylphenyl)-1-benzothiophen-5-yl]-3,6-dimethyl-5H-pyrimidin-4-one;2-amino-5-[3-(furan-3-yl)phenyl]-3-methyl-5-phenylimidazol-4-one;(6S)-6-[3-(2-chloro-5-methoxyphenyl)phenyl]-6-methyl-2-methylimino-1,3-diazinan-4-one.

What is the SMILES notation for (5S,6S)-2-amino-6-(4-bromo-2-pyridinyl)-5-(4-cyclopropylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-(4-bromo-2-pyridinyl)-5-(4-cyclopropylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-(4-bromothiophen-2-yl)-5,5-difluoro-3,6-dimethylpyrimidin-4-one;(6S)-2-amino-6-(3-bromothiophen-2-yl)-5-[4-(difluoromethoxy)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-[7-(4-fluoro-3-methylphenyl)-1-benzothiophen-5-yl]-3,6-dimethyl-5H-pyrimidin-4-one;2-amino-5-[3-(furan-3-yl)phenyl]-3-methyl-5-phenylimidazol-4-one;(6S)-6-[3-(2-chloro-5-methoxyphenyl)phenyl]-6-methyl-2-methylimino-1,3-diazinan-4-one?

The canonical SMILES for (5S,6S)-2-amino-6-(4-bromo-2-pyridinyl)-5-(4-cyclopropylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-(4-bromo-2-pyridinyl)-5-(4-cyclopropylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-(4-bromothiophen-2-yl)-5,5-difluoro-3,6-dimethylpyrimidin-4-one;(6S)-2-amino-6-(3-bromothiophen-2-yl)-5-[4-(difluoromethoxy)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-[7-(4-fluoro-3-methylphenyl)-1-benzothiophen-5-yl]-3,6-dimethyl-5H-pyrimidin-4-one;2-amino-5-[3-(furan-3-yl)phenyl]-3-methyl-5-phenylimidazol-4-one;(6S)-6-[3-(2-chloro-5-methoxyphenyl)phenyl]-6-methyl-2-methylimino-1,3-diazinan-4-one is C/N=C1\NC(=O)C[C@@](C)(c2cccc(-c3cc(OC)ccc3Cl)c2)N1.CN1C(=O)C(F)(F)[C@@](C)(c2cc(Br)cs2)N=C1N.CN1C(=O)C(c2ccc(OC(F)F)cc2)[C@@](C)(c2sccc2Br)N=C1N.CN1C(=O)C(c2ccccc2)(c2cccc(-c3ccoc3)c2)N=C1N.CN1C(=O)[C@@H](c2ccc(C3CC3)cc2)[C@@](C)(c2cc(Br)ccn2)N=C1N.CN1C(=O)[C@H](c2ccc(C3CC3)cc2)[C@@](C)(c2cc(Br)ccn2)N=C1N.Cc1cc(-c2cc([C@]3(C)CC(=O)N(C)C(N)=N3)cc3ccsc23)ccc1F.

What is the InChIKey of (5S,6S)-2-amino-6-(4-bromo-2-pyridinyl)-5-(4-cyclopropylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-(4-bromo-2-pyridinyl)-5-(4-cyclopropylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-(4-bromothiophen-2-yl)-5,5-difluoro-3,6-dimethylpyrimidin-4-one;(6S)-2-amino-6-(3-bromothiophen-2-yl)-5-[4-(difluoromethoxy)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-[7-(4-fluoro-3-methylphenyl)-1-benzothiophen-5-yl]-3,6-dimethyl-5H-pyrimidin-4-one;2-amino-5-[3-(furan-3-yl)phenyl]-3-methyl-5-phenylimidazol-4-one;(6S)-6-[3-(2-chloro-5-methoxyphenyl)phenyl]-6-methyl-2-methylimino-1,3-diazinan-4-one?

The InChIKey is UNPDRPCXFBREQD-JHWAEAOYSA-N. The full InChI is InChI=1S/C21H20FN3OS.2C20H21BrN4O.C20H17N3O2.C19H20ClN3O2.C17H16BrF2N3O2S.C10H10BrF2N3OS/c1-12-8-13(4-5-17(12)22)16-10-15(9-14-6-7-27-19(14)16)21(2)11-18(26)25(3)20(23)24-21;2*1-20(16-11-15(21)9-10-23-16)17(18(26)25(2)19(22)24-20)14-7-5-13(6-8-14)12-3-4-12;1-23-18(24)20(22-19(23)21,16-7-3-2-4-8-16)17-9-5-6-14(12-17)15-10-11-25-13-15;1-19(11-17(24)22-18(21-2)23-19)13-6-4-5-12(9-13)15-10-14(25-3)7-8-16(15)20;1-17(13-11(18)7-8-26-13)12(14(24)23(2)16(21)22-17)9-3-5-10(6-4-9)25-15(19)20;1-9(6-3-5(11)4-18-6)10(12,13)7(17)16(2)8(14)15-9/h4-10H,11H2,1-3H3,(H2,23,24);2*5-12,17H,3-4H2,1-2H3,(H2,22,24);2-13H,1H3,(H2,21,22);4-10H,11H2,1-3H3,(H2,21,22,23,24);3-8,12,15H,1-2H3,(H2,21,22);3-4H,1-2H3,(H2,14,15)/t21-;17-,20+;17-,20-;;19-;12?,17-;9-/m001.001/s1.

What are the key properties of (5S,6S)-2-amino-6-(4-bromo-2-pyridinyl)-5-(4-cyclopropylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-(4-bromo-2-pyridinyl)-5-(4-cyclopropylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-(4-bromothiophen-2-yl)-5,5-difluoro-3,6-dimethylpyrimidin-4-one;(6S)-2-amino-6-(3-bromothiophen-2-yl)-5-[4-(difluoromethoxy)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-[7-(4-fluoro-3-methylphenyl)-1-benzothiophen-5-yl]-3,6-dimethyl-5H-pyrimidin-4-one;2-amino-5-[3-(furan-3-yl)phenyl]-3-methyl-5-phenylimidazol-4-one;(6S)-6-[3-(2-chloro-5-methoxyphenyl)phenyl]-6-methyl-2-methylimino-1,3-diazinan-4-one?

(5S,6S)-2-amino-6-(4-bromo-2-pyridinyl)-5-(4-cyclopropylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-(4-bromo-2-pyridinyl)-5-(4-cyclopropylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-(4-bromothiophen-2-yl)-5,5-difluoro-3,6-dimethylpyrimidin-4-one;(6S)-2-amino-6-(3-bromothiophen-2-yl)-5-[4-(difluoromethoxy)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-[7-(4-fluoro-3-methylphenyl)-1-benzothiophen-5-yl]-3,6-dimethyl-5H-pyrimidin-4-one;2-amino-5-[3-(furan-3-yl)phenyl]-3-methyl-5-phenylimidazol-4-one;(6S)-6-[3-(2-chloro-5-methoxyphenyl)phenyl]-6-methyl-2-methylimino-1,3-diazinan-4-one has a molecular weight of 2679.81 g/mol, XLogP of 23.77, 19 rotatable bonds, 8 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for (5S,6S)-2-amino-6-(4-bromo-2-pyridinyl)-5-(4-cyclopropylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-(4-bromo-2-pyridinyl)-5-(4-cyclopropylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-(4-bromothiophen-2-yl)-5,5-difluoro-3,6-dimethylpyrimidin-4-one;(6S)-2-amino-6-(3-bromothiophen-2-yl)-5-[4-(difluoromethoxy)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-[7-(4-fluoro-3-methylphenyl)-1-benzothiophen-5-yl]-3,6-dimethyl-5H-pyrimidin-4-one;2-amino-5-[3-(furan-3-yl)phenyl]-3-methyl-5-phenylimidazol-4-one;(6S)-6-[3-(2-chloro-5-methoxyphenyl)phenyl]-6-methyl-2-methylimino-1,3-diazinan-4-one is sourced from PubChem (CID 161142232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).