(6S)-2-amino-3,6-dimethyl-6-(4-methyl-5-pyridin-3-ylthiophen-2-yl)-5H-pyrimidin-4-one;3-[5-[(4S,5S)-2-amino-1,4-dimethyl-6-oxo-5-(2-propan-2-ylindazol-5-yl)-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;(6S)-2-amino-6-(furan-2-yl)-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-[4-(6-methoxy-2-pyridinyl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;N-[4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]acetamide

C93H97N21O8S3 — CID 159600807

About (6S)-2-amino-3,6-dimethyl-6-(4-methyl-5-pyridin-3-ylthiophen-2-yl)-5H-pyrimidin-4-one;3-[5-[(4S,5S)-2-amino-1,4-dimethyl-6-oxo-5-(2-propan-2-ylindazol-5-yl)-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;(6S)-2-amino-6-(furan-2-yl)-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-[4-(6-methoxy-2-pyridinyl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;N-[4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]acetamide

(6S)-2-amino-3,6-dimethyl-6-(4-methyl-5-pyridin-3-ylthiophen-2-yl)-5H-pyrimidin-4-one;3-[5-[(4S,5S)-2-amino-1,4-dimethyl-6-oxo-5-(2-propan-2-ylindazol-5-yl)-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;(6S)-2-amino-6-(furan-2-yl)-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-[4-(6-methoxy-2-pyridinyl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;N-[4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]acetamide (PubChem CID 159600807) has the molecular formula C93H97N21O8S3 and a molecular weight of 1733.14 g/mol. Its IUPAC name is (6S)-2-amino-3,6-dimethyl-6-(4-methyl-5-pyridin-3-ylthiophen-2-yl)-5H-pyrimidin-4-one;3-[5-[(4S,5S)-2-amino-1,4-dimethyl-6-oxo-5-(2-propan-2-ylindazol-5-yl)-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;(6S)-2-amino-6-(furan-2-yl)-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-[4-(6-methoxy-2-pyridinyl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;N-[4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]acetamide.

Molecular Properties

• Compound Name: (6S)-2-amino-3,6-dimethyl-6-(4-methyl-5-pyridin-3-ylthiophen-2-yl)-5H-pyrimidin-4-one;3-[5-[(4S,5S)-2-amino-1,4-dimethyl-6-oxo-5-(2-propan-2-ylindazol-5-yl)-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;(6S)-2-amino-6-(furan-2-yl)-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-[4-(6-methoxy-2-pyridinyl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;N-[4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]acetamide
• PubChem CID: 159600807
• Molecular Formula: C93H97N21O8S3
• Molecular Weight: 1733.14 g/mol
• Exact Mass: 1731.70
• IUPAC Name: (6S)-2-amino-3,6-dimethyl-6-(4-methyl-5-pyridin-3-ylthiophen-2-yl)-5H-pyrimidin-4-one;3-[5-[(4S,5S)-2-amino-1,4-dimethyl-6-oxo-5-(2-propan-2-ylindazol-5-yl)-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;(6S)-2-amino-6-(furan-2-yl)-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-[4-(6-methoxy-2-pyridinyl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;N-[4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]acetamide
• SMILES: CC(=O)Nc1ccc(CN2C(=O)C(c3ccccc3)(c3ccccc3)N=C2N)cc1.CC(C)n1cc2cc([C@@H]3C(=O)N(C)C(N)=N[C@]3(C)c3cc(-c4cccc(C#N)c4)cs3)ccc2n1.CN1C(=O)C[C@@](C)(c2ccco2)N=C1N.COc1cccc(-c2csc([C@]3(C)CC(=O)N(C)C(N)=N3)c2)n1.Cc1cc([C@]2(C)CC(=O)N(C)C(N)=N2)sc1-c1cccnc1
• InChI: InChI=1S/C27H26N6OS.C24H22N4O2.C16H18N4O2S.C16H18N4OS.C10H13N3O2/c1-16(2)33-14-20-11-19(8-9-22(20)31-33)24-25(34)32(4)26(29)30-27(24,3)23-12-21(15-35-23)18-7-5-6-17(10-18)13-28;1-17(29)26-21-14-12-18(13-15-21)16-28-22(30)24(27-23(28)25,19-8-4-2-5-9-19)20-10-6-3-7-11-20;1-16(8-14(21)20(2)15(17)19-16)12-7-10(9-23-12)11-5-4-6-13(18-11)22-3;1-10-7-12(22-14(10)11-5-4-6-18-9-11)16(2)8-13(21)20(3)15(17)19-16;1-10(7-4-3-5-15-7)6-8(14)13(2)9(11)12-10/h5-12,14-16,24H,1-4H3,(H2,29,30);2-15H,16H2,1H3,(H2,25,27)(H,26,29);4-7,9H,8H2,1-3H3,(H2,17,19);4-7,9H,8H2,1-3H3,(H2,17,19);3-5H,6H2,1-2H3,(H2,11,12)/t24-,27-;;2*16-;10-/m1.000/s1
• InChIKey: MLLLWETZHXIJSL-QNJZQPMOSA-N
• XLogP: 13.64
• TPSA: 412.31 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 26
• Rotatable Bonds: 15
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1733.14
LogP ≤ 5	13.64
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of (6S)-2-amino-3,6-dimethyl-6-(4-methyl-5-pyridin-3-ylthiophen-2-yl)-5H-pyrimidin-4-one;3-[5-[(4S,5S)-2-amino-1,4-dimethyl-6-oxo-5-(2-propan-2-ylindazol-5-yl)-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;(6S)-2-amino-6-(furan-2-yl)-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-[4-(6-methoxy-2-pyridinyl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;N-[4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]acetamide?

The IUPAC name of (6S)-2-amino-3,6-dimethyl-6-(4-methyl-5-pyridin-3-ylthiophen-2-yl)-5H-pyrimidin-4-one;3-[5-[(4S,5S)-2-amino-1,4-dimethyl-6-oxo-5-(2-propan-2-ylindazol-5-yl)-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;(6S)-2-amino-6-(furan-2-yl)-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-[4-(6-methoxy-2-pyridinyl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;N-[4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]acetamide (CID 159600807) is (6S)-2-amino-3,6-dimethyl-6-(4-methyl-5-pyridin-3-ylthiophen-2-yl)-5H-pyrimidin-4-one;3-[5-[(4S,5S)-2-amino-1,4-dimethyl-6-oxo-5-(2-propan-2-ylindazol-5-yl)-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;(6S)-2-amino-6-(furan-2-yl)-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-[4-(6-methoxy-2-pyridinyl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;N-[4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]acetamide.

What is the SMILES notation for (6S)-2-amino-3,6-dimethyl-6-(4-methyl-5-pyridin-3-ylthiophen-2-yl)-5H-pyrimidin-4-one;3-[5-[(4S,5S)-2-amino-1,4-dimethyl-6-oxo-5-(2-propan-2-ylindazol-5-yl)-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;(6S)-2-amino-6-(furan-2-yl)-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-[4-(6-methoxy-2-pyridinyl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;N-[4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]acetamide?

The canonical SMILES for (6S)-2-amino-3,6-dimethyl-6-(4-methyl-5-pyridin-3-ylthiophen-2-yl)-5H-pyrimidin-4-one;3-[5-[(4S,5S)-2-amino-1,4-dimethyl-6-oxo-5-(2-propan-2-ylindazol-5-yl)-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;(6S)-2-amino-6-(furan-2-yl)-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-[4-(6-methoxy-2-pyridinyl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;N-[4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]acetamide is CC(=O)Nc1ccc(CN2C(=O)C(c3ccccc3)(c3ccccc3)N=C2N)cc1.CC(C)n1cc2cc([C@@H]3C(=O)N(C)C(N)=N[C@]3(C)c3cc(-c4cccc(C#N)c4)cs3)ccc2n1.CN1C(=O)C[C@@](C)(c2ccco2)N=C1N.COc1cccc(-c2csc([C@]3(C)CC(=O)N(C)C(N)=N3)c2)n1.Cc1cc([C@]2(C)CC(=O)N(C)C(N)=N2)sc1-c1cccnc1.

What is the InChIKey of (6S)-2-amino-3,6-dimethyl-6-(4-methyl-5-pyridin-3-ylthiophen-2-yl)-5H-pyrimidin-4-one;3-[5-[(4S,5S)-2-amino-1,4-dimethyl-6-oxo-5-(2-propan-2-ylindazol-5-yl)-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;(6S)-2-amino-6-(furan-2-yl)-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-[4-(6-methoxy-2-pyridinyl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;N-[4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]acetamide?

The InChIKey is MLLLWETZHXIJSL-QNJZQPMOSA-N. The full InChI is InChI=1S/C27H26N6OS.C24H22N4O2.C16H18N4O2S.C16H18N4OS.C10H13N3O2/c1-16(2)33-14-20-11-19(8-9-22(20)31-33)24-25(34)32(4)26(29)30-27(24,3)23-12-21(15-35-23)18-7-5-6-17(10-18)13-28;1-17(29)26-21-14-12-18(13-15-21)16-28-22(30)24(27-23(28)25,19-8-4-2-5-9-19)20-10-6-3-7-11-20;1-16(8-14(21)20(2)15(17)19-16)12-7-10(9-23-12)11-5-4-6-13(18-11)22-3;1-10-7-12(22-14(10)11-5-4-6-18-9-11)16(2)8-13(21)20(3)15(17)19-16;1-10(7-4-3-5-15-7)6-8(14)13(2)9(11)12-10/h5-12,14-16,24H,1-4H3,(H2,29,30);2-15H,16H2,1H3,(H2,25,27)(H,26,29);4-7,9H,8H2,1-3H3,(H2,17,19);4-7,9H,8H2,1-3H3,(H2,17,19);3-5H,6H2,1-2H3,(H2,11,12)/t24-,27-;;2*16-;10-/m1.000/s1.

What are the key properties of (6S)-2-amino-3,6-dimethyl-6-(4-methyl-5-pyridin-3-ylthiophen-2-yl)-5H-pyrimidin-4-one;3-[5-[(4S,5S)-2-amino-1,4-dimethyl-6-oxo-5-(2-propan-2-ylindazol-5-yl)-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;(6S)-2-amino-6-(furan-2-yl)-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-[4-(6-methoxy-2-pyridinyl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;N-[4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]acetamide?

(6S)-2-amino-3,6-dimethyl-6-(4-methyl-5-pyridin-3-ylthiophen-2-yl)-5H-pyrimidin-4-one;3-[5-[(4S,5S)-2-amino-1,4-dimethyl-6-oxo-5-(2-propan-2-ylindazol-5-yl)-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;(6S)-2-amino-6-(furan-2-yl)-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-[4-(6-methoxy-2-pyridinyl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;N-[4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]acetamide has a molecular weight of 1733.14 g/mol, XLogP of 13.64, 15 rotatable bonds, 6 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for (6S)-2-amino-3,6-dimethyl-6-(4-methyl-5-pyridin-3-ylthiophen-2-yl)-5H-pyrimidin-4-one;3-[5-[(4S,5S)-2-amino-1,4-dimethyl-6-oxo-5-(2-propan-2-ylindazol-5-yl)-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;(6S)-2-amino-6-(furan-2-yl)-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-[4-(6-methoxy-2-pyridinyl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;N-[4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]acetamide is sourced from PubChem (CID 159600807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).