(6S)-2-amino-6-(1-benzylindazol-6-yl)-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-(4-bromothiophen-2-yl)-3,6-dimethyl-5-(4-pyrazol-1-ylphenyl)-5H-pyrimidin-4-one;(6S)-2-amino-6-[1-(2-cyclopropylacetyl)piperidin-3-yl]-3,6-dimethyl-5H-pyrimidin-4-one;2-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-4H-thieno[2,3-c]chromene-8-carbonitrile;(6R)-2-amino-3,6-dimethyl-6-[(3-pyrimidin-5-ylphenyl)methyl]-5H-pyrimidin-4-one;(6S)-2-amino-6-(1-ethylindazol-5-yl)-3,6-dimethyl-5H-pyrimidin-4-one;2-amino-3-methyl-5-phenyl-5-(3-pyridin-2-ylphenyl)imidazol-4-one

C126H137BrN32O9S2 — CID 158706379

About (6S)-2-amino-6-(1-benzylindazol-6-yl)-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-(4-bromothiophen-2-yl)-3,6-dimethyl-5-(4-pyrazol-1-ylphenyl)-5H-pyrimidin-4-one;(6S)-2-amino-6-[1-(2-cyclopropylacetyl)piperidin-3-yl]-3,6-dimethyl-5H-pyrimidin-4-one;2-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-4H-thieno[2,3-c]chromene-8-carbonitrile;(6R)-2-amino-3,6-dimethyl-6-[(3-pyrimidin-5-ylphenyl)methyl]-5H-pyrimidin-4-one;(6S)-2-amino-6-(1-ethylindazol-5-yl)-3,6-dimethyl-5H-pyrimidin-4-one;2-amino-3-methyl-5-phenyl-5-(3-pyridin-2-ylphenyl)imidazol-4-one

(6S)-2-amino-6-(1-benzylindazol-6-yl)-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-(4-bromothiophen-2-yl)-3,6-dimethyl-5-(4-pyrazol-1-ylphenyl)-5H-pyrimidin-4-one;(6S)-2-amino-6-[1-(2-cyclopropylacetyl)piperidin-3-yl]-3,6-dimethyl-5H-pyrimidin-4-one;2-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-4H-thieno[2,3-c]chromene-8-carbonitrile;(6R)-2-amino-3,6-dimethyl-6-[(3-pyrimidin-5-ylphenyl)methyl]-5H-pyrimidin-4-one;(6S)-2-amino-6-(1-ethylindazol-5-yl)-3,6-dimethyl-5H-pyrimidin-4-one;2-amino-3-methyl-5-phenyl-5-(3-pyridin-2-ylphenyl)imidazol-4-one (PubChem CID 158706379) has the molecular formula C126H137BrN32O9S2 and a molecular weight of 2387.73 g/mol. Its IUPAC name is (6S)-2-amino-6-(1-benzylindazol-6-yl)-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-(4-bromothiophen-2-yl)-3,6-dimethyl-5-(4-pyrazol-1-ylphenyl)-5H-pyrimidin-4-one;(6S)-2-amino-6-[1-(2-cyclopropylacetyl)piperidin-3-yl]-3,6-dimethyl-5H-pyrimidin-4-one;2-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-4H-thieno[2,3-c]chromene-8-carbonitrile;(6R)-2-amino-3,6-dimethyl-6-[(3-pyrimidin-5-ylphenyl)methyl]-5H-pyrimidin-4-one;(6S)-2-amino-6-(1-ethylindazol-5-yl)-3,6-dimethyl-5H-pyrimidin-4-one;2-amino-3-methyl-5-phenyl-5-(3-pyridin-2-ylphenyl)imidazol-4-one.

Molecular Properties

• Compound Name: (6S)-2-amino-6-(1-benzylindazol-6-yl)-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-(4-bromothiophen-2-yl)-3,6-dimethyl-5-(4-pyrazol-1-ylphenyl)-5H-pyrimidin-4-one;(6S)-2-amino-6-[1-(2-cyclopropylacetyl)piperidin-3-yl]-3,6-dimethyl-5H-pyrimidin-4-one;2-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-4H-thieno[2,3-c]chromene-8-carbonitrile;(6R)-2-amino-3,6-dimethyl-6-[(3-pyrimidin-5-ylphenyl)methyl]-5H-pyrimidin-4-one;(6S)-2-amino-6-(1-ethylindazol-5-yl)-3,6-dimethyl-5H-pyrimidin-4-one;2-amino-3-methyl-5-phenyl-5-(3-pyridin-2-ylphenyl)imidazol-4-one
• PubChem CID: 158706379
• Molecular Formula: C126H137BrN32O9S2
• Molecular Weight: 2387.73 g/mol
• Exact Mass: 2384.99
• IUPAC Name: (6S)-2-amino-6-(1-benzylindazol-6-yl)-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-(4-bromothiophen-2-yl)-3,6-dimethyl-5-(4-pyrazol-1-ylphenyl)-5H-pyrimidin-4-one;(6S)-2-amino-6-[1-(2-cyclopropylacetyl)piperidin-3-yl]-3,6-dimethyl-5H-pyrimidin-4-one;2-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-4H-thieno[2,3-c]chromene-8-carbonitrile;(6R)-2-amino-3,6-dimethyl-6-[(3-pyrimidin-5-ylphenyl)methyl]-5H-pyrimidin-4-one;(6S)-2-amino-6-(1-ethylindazol-5-yl)-3,6-dimethyl-5H-pyrimidin-4-one;2-amino-3-methyl-5-phenyl-5-(3-pyridin-2-ylphenyl)imidazol-4-one
• SMILES: CCn1ncc2cc([C@]3(C)CC(=O)N(C)C(N)=N3)ccc21.CN1C(=O)C(c2ccc(-n3cccn3)cc2)[C@@](C)(c2cc(Br)cs2)N=C1N.CN1C(=O)C(c2ccccc2)(c2cccc(-c3ccccn3)c2)N=C1N.CN1C(=O)C[C@@](C)(C2CCCN(C(=O)CC3CC3)C2)N=C1N.CN1C(=O)C[C@@](C)(Cc2cccc(-c3cncnc3)c2)N=C1N.CN1C(=O)C[C@@](C)(c2cc3c(s2)COc2ccc(C#N)cc2-3)N=C1N.CN1C(=O)C[C@@](C)(c2ccc3cnn(Cc4ccccc4)c3c2)N=C1N
• InChI: InChI=1S/C21H18N4O.C20H21N5O.C19H18BrN5OS.C18H16N4O2S.C17H19N5O.C16H26N4O2.C15H19N5O/c1-25-19(26)21(24-20(25)22,16-9-3-2-4-10-16)17-11-7-8-15(14-17)18-12-5-6-13-23-18;1-20(11-18(26)24(2)19(21)23-20)16-9-8-15-12-22-25(17(15)10-16)13-14-6-4-3-5-7-14;1-19(15-10-13(20)11-27-15)16(17(26)24(2)18(21)23-19)12-4-6-14(7-5-12)25-9-3-8-22-25;1-18(7-16(23)22(2)17(20)21-18)15-6-12-11-5-10(8-19)3-4-13(11)24-9-14(12)25-15;1-17(8-15(23)22(2)16(18)21-17)7-12-4-3-5-13(6-12)14-9-19-11-20-10-14;1-16(9-14(22)19(2)15(17)18-16)12-4-3-7-20(10-12)13(21)8-11-5-6-11;1-4-20-12-6-5-11(7-10(12)9-17-20)15(2)8-13(21)19(3)14(16)18-15/h2-14H,1H3,(H2,22,24);3-10,12H,11,13H2,1-2H3,(H2,21,23);3-11,16H,1-2H3,(H2,21,23);3-6H,7,9H2,1-2H3,(H2,20,21);3-6,9-11H,7-8H2,1-2H3,(H2,18,21);11-12H,3-10H2,1-2H3,(H2,17,18);5-7,9H,4,8H2,1-3H3,(H2,16,18)/t;20-;16?,19-;18-;17-;12?,16-;15-/m.010100/s1
• InChIKey: IIDXKEQLCNTROD-WLUICHLBSA-N
• XLogP: 15.34
• TPSA: 556.29 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 35
• Rotatable Bonds: 18
• Heavy Atoms: 170
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2387.73
LogP ≤ 5	15.34
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	35

Frequently Asked Questions

What is the IUPAC name of (6S)-2-amino-6-(1-benzylindazol-6-yl)-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-(4-bromothiophen-2-yl)-3,6-dimethyl-5-(4-pyrazol-1-ylphenyl)-5H-pyrimidin-4-one;(6S)-2-amino-6-[1-(2-cyclopropylacetyl)piperidin-3-yl]-3,6-dimethyl-5H-pyrimidin-4-one;2-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-4H-thieno[2,3-c]chromene-8-carbonitrile;(6R)-2-amino-3,6-dimethyl-6-[(3-pyrimidin-5-ylphenyl)methyl]-5H-pyrimidin-4-one;(6S)-2-amino-6-(1-ethylindazol-5-yl)-3,6-dimethyl-5H-pyrimidin-4-one;2-amino-3-methyl-5-phenyl-5-(3-pyridin-2-ylphenyl)imidazol-4-one?

The IUPAC name of (6S)-2-amino-6-(1-benzylindazol-6-yl)-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-(4-bromothiophen-2-yl)-3,6-dimethyl-5-(4-pyrazol-1-ylphenyl)-5H-pyrimidin-4-one;(6S)-2-amino-6-[1-(2-cyclopropylacetyl)piperidin-3-yl]-3,6-dimethyl-5H-pyrimidin-4-one;2-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-4H-thieno[2,3-c]chromene-8-carbonitrile;(6R)-2-amino-3,6-dimethyl-6-[(3-pyrimidin-5-ylphenyl)methyl]-5H-pyrimidin-4-one;(6S)-2-amino-6-(1-ethylindazol-5-yl)-3,6-dimethyl-5H-pyrimidin-4-one;2-amino-3-methyl-5-phenyl-5-(3-pyridin-2-ylphenyl)imidazol-4-one (CID 158706379) is (6S)-2-amino-6-(1-benzylindazol-6-yl)-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-(4-bromothiophen-2-yl)-3,6-dimethyl-5-(4-pyrazol-1-ylphenyl)-5H-pyrimidin-4-one;(6S)-2-amino-6-[1-(2-cyclopropylacetyl)piperidin-3-yl]-3,6-dimethyl-5H-pyrimidin-4-one;2-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-4H-thieno[2,3-c]chromene-8-carbonitrile;(6R)-2-amino-3,6-dimethyl-6-[(3-pyrimidin-5-ylphenyl)methyl]-5H-pyrimidin-4-one;(6S)-2-amino-6-(1-ethylindazol-5-yl)-3,6-dimethyl-5H-pyrimidin-4-one;2-amino-3-methyl-5-phenyl-5-(3-pyridin-2-ylphenyl)imidazol-4-one.

What is the SMILES notation for (6S)-2-amino-6-(1-benzylindazol-6-yl)-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-(4-bromothiophen-2-yl)-3,6-dimethyl-5-(4-pyrazol-1-ylphenyl)-5H-pyrimidin-4-one;(6S)-2-amino-6-[1-(2-cyclopropylacetyl)piperidin-3-yl]-3,6-dimethyl-5H-pyrimidin-4-one;2-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-4H-thieno[2,3-c]chromene-8-carbonitrile;(6R)-2-amino-3,6-dimethyl-6-[(3-pyrimidin-5-ylphenyl)methyl]-5H-pyrimidin-4-one;(6S)-2-amino-6-(1-ethylindazol-5-yl)-3,6-dimethyl-5H-pyrimidin-4-one;2-amino-3-methyl-5-phenyl-5-(3-pyridin-2-ylphenyl)imidazol-4-one?

The canonical SMILES for (6S)-2-amino-6-(1-benzylindazol-6-yl)-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-(4-bromothiophen-2-yl)-3,6-dimethyl-5-(4-pyrazol-1-ylphenyl)-5H-pyrimidin-4-one;(6S)-2-amino-6-[1-(2-cyclopropylacetyl)piperidin-3-yl]-3,6-dimethyl-5H-pyrimidin-4-one;2-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-4H-thieno[2,3-c]chromene-8-carbonitrile;(6R)-2-amino-3,6-dimethyl-6-[(3-pyrimidin-5-ylphenyl)methyl]-5H-pyrimidin-4-one;(6S)-2-amino-6-(1-ethylindazol-5-yl)-3,6-dimethyl-5H-pyrimidin-4-one;2-amino-3-methyl-5-phenyl-5-(3-pyridin-2-ylphenyl)imidazol-4-one is CCn1ncc2cc([C@]3(C)CC(=O)N(C)C(N)=N3)ccc21.CN1C(=O)C(c2ccc(-n3cccn3)cc2)[C@@](C)(c2cc(Br)cs2)N=C1N.CN1C(=O)C(c2ccccc2)(c2cccc(-c3ccccn3)c2)N=C1N.CN1C(=O)C[C@@](C)(C2CCCN(C(=O)CC3CC3)C2)N=C1N.CN1C(=O)C[C@@](C)(Cc2cccc(-c3cncnc3)c2)N=C1N.CN1C(=O)C[C@@](C)(c2cc3c(s2)COc2ccc(C#N)cc2-3)N=C1N.CN1C(=O)C[C@@](C)(c2ccc3cnn(Cc4ccccc4)c3c2)N=C1N.

What is the InChIKey of (6S)-2-amino-6-(1-benzylindazol-6-yl)-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-(4-bromothiophen-2-yl)-3,6-dimethyl-5-(4-pyrazol-1-ylphenyl)-5H-pyrimidin-4-one;(6S)-2-amino-6-[1-(2-cyclopropylacetyl)piperidin-3-yl]-3,6-dimethyl-5H-pyrimidin-4-one;2-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-4H-thieno[2,3-c]chromene-8-carbonitrile;(6R)-2-amino-3,6-dimethyl-6-[(3-pyrimidin-5-ylphenyl)methyl]-5H-pyrimidin-4-one;(6S)-2-amino-6-(1-ethylindazol-5-yl)-3,6-dimethyl-5H-pyrimidin-4-one;2-amino-3-methyl-5-phenyl-5-(3-pyridin-2-ylphenyl)imidazol-4-one?

The InChIKey is IIDXKEQLCNTROD-WLUICHLBSA-N. The full InChI is InChI=1S/C21H18N4O.C20H21N5O.C19H18BrN5OS.C18H16N4O2S.C17H19N5O.C16H26N4O2.C15H19N5O/c1-25-19(26)21(24-20(25)22,16-9-3-2-4-10-16)17-11-7-8-15(14-17)18-12-5-6-13-23-18;1-20(11-18(26)24(2)19(21)23-20)16-9-8-15-12-22-25(17(15)10-16)13-14-6-4-3-5-7-14;1-19(15-10-13(20)11-27-15)16(17(26)24(2)18(21)23-19)12-4-6-14(7-5-12)25-9-3-8-22-25;1-18(7-16(23)22(2)17(20)21-18)15-6-12-11-5-10(8-19)3-4-13(11)24-9-14(12)25-15;1-17(8-15(23)22(2)16(18)21-17)7-12-4-3-5-13(6-12)14-9-19-11-20-10-14;1-16(9-14(22)19(2)15(17)18-16)12-4-3-7-20(10-12)13(21)8-11-5-6-11;1-4-20-12-6-5-11(7-10(12)9-17-20)15(2)8-13(21)19(3)14(16)18-15/h2-14H,1H3,(H2,22,24);3-10,12H,11,13H2,1-2H3,(H2,21,23);3-11,16H,1-2H3,(H2,21,23);3-6H,7,9H2,1-2H3,(H2,20,21);3-6,9-11H,7-8H2,1-2H3,(H2,18,21);11-12H,3-10H2,1-2H3,(H2,17,18);5-7,9H,4,8H2,1-3H3,(H2,16,18)/t;20-;16?,19-;18-;17-;12?,16-;15-/m.010100/s1.

What are the key properties of (6S)-2-amino-6-(1-benzylindazol-6-yl)-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-(4-bromothiophen-2-yl)-3,6-dimethyl-5-(4-pyrazol-1-ylphenyl)-5H-pyrimidin-4-one;(6S)-2-amino-6-[1-(2-cyclopropylacetyl)piperidin-3-yl]-3,6-dimethyl-5H-pyrimidin-4-one;2-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-4H-thieno[2,3-c]chromene-8-carbonitrile;(6R)-2-amino-3,6-dimethyl-6-[(3-pyrimidin-5-ylphenyl)methyl]-5H-pyrimidin-4-one;(6S)-2-amino-6-(1-ethylindazol-5-yl)-3,6-dimethyl-5H-pyrimidin-4-one;2-amino-3-methyl-5-phenyl-5-(3-pyridin-2-ylphenyl)imidazol-4-one?

(6S)-2-amino-6-(1-benzylindazol-6-yl)-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-(4-bromothiophen-2-yl)-3,6-dimethyl-5-(4-pyrazol-1-ylphenyl)-5H-pyrimidin-4-one;(6S)-2-amino-6-[1-(2-cyclopropylacetyl)piperidin-3-yl]-3,6-dimethyl-5H-pyrimidin-4-one;2-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-4H-thieno[2,3-c]chromene-8-carbonitrile;(6R)-2-amino-3,6-dimethyl-6-[(3-pyrimidin-5-ylphenyl)methyl]-5H-pyrimidin-4-one;(6S)-2-amino-6-(1-ethylindazol-5-yl)-3,6-dimethyl-5H-pyrimidin-4-one;2-amino-3-methyl-5-phenyl-5-(3-pyridin-2-ylphenyl)imidazol-4-one has a molecular weight of 2387.73 g/mol, XLogP of 15.34, 18 rotatable bonds, 7 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for (6S)-2-amino-6-(1-benzylindazol-6-yl)-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-(4-bromothiophen-2-yl)-3,6-dimethyl-5-(4-pyrazol-1-ylphenyl)-5H-pyrimidin-4-one;(6S)-2-amino-6-[1-(2-cyclopropylacetyl)piperidin-3-yl]-3,6-dimethyl-5H-pyrimidin-4-one;2-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-4H-thieno[2,3-c]chromene-8-carbonitrile;(6R)-2-amino-3,6-dimethyl-6-[(3-pyrimidin-5-ylphenyl)methyl]-5H-pyrimidin-4-one;(6S)-2-amino-6-(1-ethylindazol-5-yl)-3,6-dimethyl-5H-pyrimidin-4-one;2-amino-3-methyl-5-phenyl-5-(3-pyridin-2-ylphenyl)imidazol-4-one is sourced from PubChem (CID 158706379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).