(5S,6S)-2-amino-5-(4-cyclopropylphenyl)-3,6-dimethyl-6-(4-pyrimidin-5-ylthiophen-2-yl)-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-(4-cyclopropylphenyl)-3,6-dimethyl-6-(4-pyrimidin-5-ylthiophen-2-yl)-5H-pyrimidin-4-one;5-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-2-bromothiophen-3-yl]benzene-1,3-dicarbonitrile;2-amino-5,5-diphenyl-3-(pyridin-2-ylmethyl)imidazol-4-one;2-amino-5,5-diphenyl-3-[(1-pyridin-2-ylpiperidin-4-yl)methyl]imidazol-4-one;(6S)-2-amino-6-[5-(3-methoxyphenyl)-4-methylthiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one

C129H126BrN27O7S4 — CID 159703437

About (5S,6S)-2-amino-5-(4-cyclopropylphenyl)-3,6-dimethyl-6-(4-pyrimidin-5-ylthiophen-2-yl)-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-(4-cyclopropylphenyl)-3,6-dimethyl-6-(4-pyrimidin-5-ylthiophen-2-yl)-5H-pyrimidin-4-one;5-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-2-bromothiophen-3-yl]benzene-1,3-dicarbonitrile;2-amino-5,5-diphenyl-3-(pyridin-2-ylmethyl)imidazol-4-one;2-amino-5,5-diphenyl-3-[(1-pyridin-2-ylpiperidin-4-yl)methyl]imidazol-4-one;(6S)-2-amino-6-[5-(3-methoxyphenyl)-4-methylthiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one

(5S,6S)-2-amino-5-(4-cyclopropylphenyl)-3,6-dimethyl-6-(4-pyrimidin-5-ylthiophen-2-yl)-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-(4-cyclopropylphenyl)-3,6-dimethyl-6-(4-pyrimidin-5-ylthiophen-2-yl)-5H-pyrimidin-4-one;5-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-2-bromothiophen-3-yl]benzene-1,3-dicarbonitrile;2-amino-5,5-diphenyl-3-(pyridin-2-ylmethyl)imidazol-4-one;2-amino-5,5-diphenyl-3-[(1-pyridin-2-ylpiperidin-4-yl)methyl]imidazol-4-one;(6S)-2-amino-6-[5-(3-methoxyphenyl)-4-methylthiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one (PubChem CID 159703437) has the molecular formula C129H126BrN27O7S4 and a molecular weight of 2374.78 g/mol. Its IUPAC name is (5S,6S)-2-amino-5-(4-cyclopropylphenyl)-3,6-dimethyl-6-(4-pyrimidin-5-ylthiophen-2-yl)-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-(4-cyclopropylphenyl)-3,6-dimethyl-6-(4-pyrimidin-5-ylthiophen-2-yl)-5H-pyrimidin-4-one;5-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-2-bromothiophen-3-yl]benzene-1,3-dicarbonitrile;2-amino-5,5-diphenyl-3-(pyridin-2-ylmethyl)imidazol-4-one;2-amino-5,5-diphenyl-3-[(1-pyridin-2-ylpiperidin-4-yl)methyl]imidazol-4-one;(6S)-2-amino-6-[5-(3-methoxyphenyl)-4-methylthiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one.

Molecular Properties

• Compound Name: (5S,6S)-2-amino-5-(4-cyclopropylphenyl)-3,6-dimethyl-6-(4-pyrimidin-5-ylthiophen-2-yl)-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-(4-cyclopropylphenyl)-3,6-dimethyl-6-(4-pyrimidin-5-ylthiophen-2-yl)-5H-pyrimidin-4-one;5-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-2-bromothiophen-3-yl]benzene-1,3-dicarbonitrile;2-amino-5,5-diphenyl-3-(pyridin-2-ylmethyl)imidazol-4-one;2-amino-5,5-diphenyl-3-[(1-pyridin-2-ylpiperidin-4-yl)methyl]imidazol-4-one;(6S)-2-amino-6-[5-(3-methoxyphenyl)-4-methylthiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one
• PubChem CID: 159703437
• Molecular Formula: C129H126BrN27O7S4
• Molecular Weight: 2374.78 g/mol
• Exact Mass: 2371.84
• IUPAC Name: (5S,6S)-2-amino-5-(4-cyclopropylphenyl)-3,6-dimethyl-6-(4-pyrimidin-5-ylthiophen-2-yl)-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-(4-cyclopropylphenyl)-3,6-dimethyl-6-(4-pyrimidin-5-ylthiophen-2-yl)-5H-pyrimidin-4-one;5-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-2-bromothiophen-3-yl]benzene-1,3-dicarbonitrile;2-amino-5,5-diphenyl-3-(pyridin-2-ylmethyl)imidazol-4-one;2-amino-5,5-diphenyl-3-[(1-pyridin-2-ylpiperidin-4-yl)methyl]imidazol-4-one;(6S)-2-amino-6-[5-(3-methoxyphenyl)-4-methylthiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one
• SMILES: CN1C(=O)C[C@@](C)(c2cc(-c3cc(C#N)cc(C#N)c3)c(Br)s2)N=C1N.CN1C(=O)[C@@H](c2ccc(C3CC3)cc2)[C@@](C)(c2cc(-c3cncnc3)cs2)N=C1N.CN1C(=O)[C@H](c2ccc(C3CC3)cc2)[C@@](C)(c2cc(-c3cncnc3)cs2)N=C1N.COc1cccc(-c2sc([C@]3(C)CC(=O)N(C)C(N)=N3)cc2C)c1.NC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1CC1CCN(c2ccccn2)CC1.NC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1Cc1ccccn1
• InChI: InChI=1S/C26H27N5O.2C23H23N5OS.C21H18N4O.C18H14BrN5OS.C18H21N3O2S/c27-25-29-26(21-9-3-1-4-10-21,22-11-5-2-6-12-22)24(32)31(25)19-20-14-17-30(18-15-20)23-13-7-8-16-28-23;2*1-23(19-9-17(12-30-19)18-10-25-13-26-11-18)20(21(29)28(2)22(24)27-23)16-7-5-15(6-8-16)14-3-4-14;22-20-24-21(16-9-3-1-4-10-16,17-11-5-2-6-12-17)19(26)25(20)15-18-13-7-8-14-23-18;1-18(7-15(25)24(2)17(22)23-18)14-6-13(16(19)26-14)12-4-10(8-20)3-11(5-12)9-21;1-11-8-14(18(2)10-15(22)21(3)17(19)20-18)24-16(11)12-6-5-7-13(9-12)23-4/h1-13,16,20H,14-15,17-19H2,(H2,27,29);2*5-14,20H,3-4H2,1-2H3,(H2,24,27);1-14H,15H2,(H2,22,24);3-6H,7H2,1-2H3,(H2,22,23);5-9H,10H2,1-4H3,(H2,19,20)/t;20-,23+;20-,23-;;2*18-/m.01.00/s1
• InChIKey: MXXICWSXFTYRTH-DEMULBPYSA-N
• XLogP: 20.25
• TPSA: 489.53 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 32
• Rotatable Bonds: 22
• Heavy Atoms: 168
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2374.78
LogP ≤ 5	20.25
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	32

Frequently Asked Questions

What is the IUPAC name of (5S,6S)-2-amino-5-(4-cyclopropylphenyl)-3,6-dimethyl-6-(4-pyrimidin-5-ylthiophen-2-yl)-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-(4-cyclopropylphenyl)-3,6-dimethyl-6-(4-pyrimidin-5-ylthiophen-2-yl)-5H-pyrimidin-4-one;5-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-2-bromothiophen-3-yl]benzene-1,3-dicarbonitrile;2-amino-5,5-diphenyl-3-(pyridin-2-ylmethyl)imidazol-4-one;2-amino-5,5-diphenyl-3-[(1-pyridin-2-ylpiperidin-4-yl)methyl]imidazol-4-one;(6S)-2-amino-6-[5-(3-methoxyphenyl)-4-methylthiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one?

The IUPAC name of (5S,6S)-2-amino-5-(4-cyclopropylphenyl)-3,6-dimethyl-6-(4-pyrimidin-5-ylthiophen-2-yl)-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-(4-cyclopropylphenyl)-3,6-dimethyl-6-(4-pyrimidin-5-ylthiophen-2-yl)-5H-pyrimidin-4-one;5-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-2-bromothiophen-3-yl]benzene-1,3-dicarbonitrile;2-amino-5,5-diphenyl-3-(pyridin-2-ylmethyl)imidazol-4-one;2-amino-5,5-diphenyl-3-[(1-pyridin-2-ylpiperidin-4-yl)methyl]imidazol-4-one;(6S)-2-amino-6-[5-(3-methoxyphenyl)-4-methylthiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one (CID 159703437) is (5S,6S)-2-amino-5-(4-cyclopropylphenyl)-3,6-dimethyl-6-(4-pyrimidin-5-ylthiophen-2-yl)-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-(4-cyclopropylphenyl)-3,6-dimethyl-6-(4-pyrimidin-5-ylthiophen-2-yl)-5H-pyrimidin-4-one;5-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-2-bromothiophen-3-yl]benzene-1,3-dicarbonitrile;2-amino-5,5-diphenyl-3-(pyridin-2-ylmethyl)imidazol-4-one;2-amino-5,5-diphenyl-3-[(1-pyridin-2-ylpiperidin-4-yl)methyl]imidazol-4-one;(6S)-2-amino-6-[5-(3-methoxyphenyl)-4-methylthiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one.

What is the SMILES notation for (5S,6S)-2-amino-5-(4-cyclopropylphenyl)-3,6-dimethyl-6-(4-pyrimidin-5-ylthiophen-2-yl)-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-(4-cyclopropylphenyl)-3,6-dimethyl-6-(4-pyrimidin-5-ylthiophen-2-yl)-5H-pyrimidin-4-one;5-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-2-bromothiophen-3-yl]benzene-1,3-dicarbonitrile;2-amino-5,5-diphenyl-3-(pyridin-2-ylmethyl)imidazol-4-one;2-amino-5,5-diphenyl-3-[(1-pyridin-2-ylpiperidin-4-yl)methyl]imidazol-4-one;(6S)-2-amino-6-[5-(3-methoxyphenyl)-4-methylthiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one?

The canonical SMILES for (5S,6S)-2-amino-5-(4-cyclopropylphenyl)-3,6-dimethyl-6-(4-pyrimidin-5-ylthiophen-2-yl)-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-(4-cyclopropylphenyl)-3,6-dimethyl-6-(4-pyrimidin-5-ylthiophen-2-yl)-5H-pyrimidin-4-one;5-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-2-bromothiophen-3-yl]benzene-1,3-dicarbonitrile;2-amino-5,5-diphenyl-3-(pyridin-2-ylmethyl)imidazol-4-one;2-amino-5,5-diphenyl-3-[(1-pyridin-2-ylpiperidin-4-yl)methyl]imidazol-4-one;(6S)-2-amino-6-[5-(3-methoxyphenyl)-4-methylthiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one is CN1C(=O)C[C@@](C)(c2cc(-c3cc(C#N)cc(C#N)c3)c(Br)s2)N=C1N.CN1C(=O)[C@@H](c2ccc(C3CC3)cc2)[C@@](C)(c2cc(-c3cncnc3)cs2)N=C1N.CN1C(=O)[C@H](c2ccc(C3CC3)cc2)[C@@](C)(c2cc(-c3cncnc3)cs2)N=C1N.COc1cccc(-c2sc([C@]3(C)CC(=O)N(C)C(N)=N3)cc2C)c1.NC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1CC1CCN(c2ccccn2)CC1.NC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1Cc1ccccn1.

What is the InChIKey of (5S,6S)-2-amino-5-(4-cyclopropylphenyl)-3,6-dimethyl-6-(4-pyrimidin-5-ylthiophen-2-yl)-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-(4-cyclopropylphenyl)-3,6-dimethyl-6-(4-pyrimidin-5-ylthiophen-2-yl)-5H-pyrimidin-4-one;5-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-2-bromothiophen-3-yl]benzene-1,3-dicarbonitrile;2-amino-5,5-diphenyl-3-(pyridin-2-ylmethyl)imidazol-4-one;2-amino-5,5-diphenyl-3-[(1-pyridin-2-ylpiperidin-4-yl)methyl]imidazol-4-one;(6S)-2-amino-6-[5-(3-methoxyphenyl)-4-methylthiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one?

The InChIKey is MXXICWSXFTYRTH-DEMULBPYSA-N. The full InChI is InChI=1S/C26H27N5O.2C23H23N5OS.C21H18N4O.C18H14BrN5OS.C18H21N3O2S/c27-25-29-26(21-9-3-1-4-10-21,22-11-5-2-6-12-22)24(32)31(25)19-20-14-17-30(18-15-20)23-13-7-8-16-28-23;2*1-23(19-9-17(12-30-19)18-10-25-13-26-11-18)20(21(29)28(2)22(24)27-23)16-7-5-15(6-8-16)14-3-4-14;22-20-24-21(16-9-3-1-4-10-16,17-11-5-2-6-12-17)19(26)25(20)15-18-13-7-8-14-23-18;1-18(7-15(25)24(2)17(22)23-18)14-6-13(16(19)26-14)12-4-10(8-20)3-11(5-12)9-21;1-11-8-14(18(2)10-15(22)21(3)17(19)20-18)24-16(11)12-6-5-7-13(9-12)23-4/h1-13,16,20H,14-15,17-19H2,(H2,27,29);2*5-14,20H,3-4H2,1-2H3,(H2,24,27);1-14H,15H2,(H2,22,24);3-6H,7H2,1-2H3,(H2,22,23);5-9H,10H2,1-4H3,(H2,19,20)/t;20-,23+;20-,23-;;2*18-/m.01.00/s1.

What are the key properties of (5S,6S)-2-amino-5-(4-cyclopropylphenyl)-3,6-dimethyl-6-(4-pyrimidin-5-ylthiophen-2-yl)-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-(4-cyclopropylphenyl)-3,6-dimethyl-6-(4-pyrimidin-5-ylthiophen-2-yl)-5H-pyrimidin-4-one;5-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-2-bromothiophen-3-yl]benzene-1,3-dicarbonitrile;2-amino-5,5-diphenyl-3-(pyridin-2-ylmethyl)imidazol-4-one;2-amino-5,5-diphenyl-3-[(1-pyridin-2-ylpiperidin-4-yl)methyl]imidazol-4-one;(6S)-2-amino-6-[5-(3-methoxyphenyl)-4-methylthiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one?

(5S,6S)-2-amino-5-(4-cyclopropylphenyl)-3,6-dimethyl-6-(4-pyrimidin-5-ylthiophen-2-yl)-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-(4-cyclopropylphenyl)-3,6-dimethyl-6-(4-pyrimidin-5-ylthiophen-2-yl)-5H-pyrimidin-4-one;5-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-2-bromothiophen-3-yl]benzene-1,3-dicarbonitrile;2-amino-5,5-diphenyl-3-(pyridin-2-ylmethyl)imidazol-4-one;2-amino-5,5-diphenyl-3-[(1-pyridin-2-ylpiperidin-4-yl)methyl]imidazol-4-one;(6S)-2-amino-6-[5-(3-methoxyphenyl)-4-methylthiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one has a molecular weight of 2374.78 g/mol, XLogP of 20.25, 22 rotatable bonds, 6 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for (5S,6S)-2-amino-5-(4-cyclopropylphenyl)-3,6-dimethyl-6-(4-pyrimidin-5-ylthiophen-2-yl)-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-(4-cyclopropylphenyl)-3,6-dimethyl-6-(4-pyrimidin-5-ylthiophen-2-yl)-5H-pyrimidin-4-one;5-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-2-bromothiophen-3-yl]benzene-1,3-dicarbonitrile;2-amino-5,5-diphenyl-3-(pyridin-2-ylmethyl)imidazol-4-one;2-amino-5,5-diphenyl-3-[(1-pyridin-2-ylpiperidin-4-yl)methyl]imidazol-4-one;(6S)-2-amino-6-[5-(3-methoxyphenyl)-4-methylthiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one is sourced from PubChem (CID 159703437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).