(6S)-2-amino-6-[4-(5-aminopyrazin-2-yl)thiophen-2-yl]-5-(1-benzofuran-5-yl)-3,6-dimethyl-5H-pyrimidin-4-one;3-[4-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-2-yl]benzonitrile;(5S,6S)-2-amino-5-(6-ethoxy-3-pyridinyl)-3,6-dimethyl-6-[3-(trifluoromethoxy)phenyl]-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-(6-ethoxy-3-pyridinyl)-3,6-dimethyl-6-[3-(trifluoromethoxy)phenyl]-5H-pyrimidin-4-one;2-amino-3-[(1-methylsulfonylpiperidin-4-yl)methyl]-5,5-diphenylimidazol-4-one

C101H104F6N22O12S3 — CID 158834388

IUPAC(6S)-2-amino-6-[4-(5-aminopyrazin-2-yl)thiophen-2-yl]-5-(1-benzofuran-5-yl)-3,6-dimethyl-5H-pyrimidin-4-one;3-[4-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-2-yl]benzonitrile;(5S,6S)-2-amino-5-(6-ethoxy-3-pyridinyl)-3,6-dimethyl-6-[3-(trifluoromethoxy)phenyl]-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-(6-ethoxy-3-pyridinyl)-3,6-dimethyl-6-[3-(trifluoromethoxy)phenyl]-5H-pyrimidin-4-one;2-amino-3-[(1-methylsulfonylpiperidin-4-yl)methyl]-5,5-diphenylimidazol-4-one
SMILESCCOc1ccc([C@@H]2C(=O)N(C)C(N)=N[C@]2(C)c2cccc(OC(F)(F)F)c2)cn1.CCOc1ccc([C@H]2C(=O)N(C)C(N)=N[C@]2(C)c2cccc(OC(F)(F)F)c2)cn1.CN1C(=O)C(c2ccc3occc3c2)[C@@](C)(c2cc(-c3cnc(N)cn3)cs2)N=C1N.CN1C(=O)C[C@@](C)(c2csc(-c3cccc(C#N)c3)c2)N=C1N.CS(=O)(=O)N1CCC(CN2C(=O)C(c3ccccc3)(c3ccccc3)N=C2N)CC1
InChIInChI=1S/C22H20N6O2S.C22H26N4O3S.2C20H21F3N4O3.C17H16N4OS/c1-22(17-8-14(11-31-17)15-9-26-18(23)10-25-15)19(20(29)28(2)21(24)27-22)13-3-4-16-12(7-13)5-6-30-16;1-30(28,29)25-14-12-17(13-15-25)16-26-20(27)22(24-21(26)23,18-8-4-2-5-9-18)19-10-6-3-7-11-19;2*1-4-29-15-9-8-12(11-25-15)16-17(28)27(3)18(24)26-19(16,2)13-6-5-7-14(10-13)30-20(21,22)23;1-17(8-15(22)21(2)16(19)20-17)13-7-14(23-10-13)12-5-3-4-11(6-12)9-18/h3-11,19H,1-2H3,(H2,23,26)(H2,24,27);2-11,17H,12-16H2,1H3,(H2,23,24);2*5-11,16H,4H2,1-3H3,(H2,24,26);3-7,10H,8H2,1-2H3,(H2,19,20)/t19?,22-;;16-,19+;16-,19-;17-/m1.010/s1
InChIKeyIXLHMSKJYRPMIU-IOXFSLMKSA-N
MW2028.27 g/mol
LogP14.09
Rot. Bonds20

About (6S)-2-amino-6-[4-(5-aminopyrazin-2-yl)thiophen-2-yl]-5-(1-benzofuran-5-yl)-3,6-dimethyl-5H-pyrimidin-4-one;3-[4-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-2-yl]benzonitrile;(5S,6S)-2-amino-5-(6-ethoxy-3-pyridinyl)-3,6-dimethyl-6-[3-(trifluoromethoxy)phenyl]-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-(6-ethoxy-3-pyridinyl)-3,6-dimethyl-6-[3-(trifluoromethoxy)phenyl]-5H-pyrimidin-4-one;2-amino-3-[(1-methylsulfonylpiperidin-4-yl)methyl]-5,5-diphenylimidazol-4-one

(6S)-2-amino-6-[4-(5-aminopyrazin-2-yl)thiophen-2-yl]-5-(1-benzofuran-5-yl)-3,6-dimethyl-5H-pyrimidin-4-one;3-[4-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-2-yl]benzonitrile;(5S,6S)-2-amino-5-(6-ethoxy-3-pyridinyl)-3,6-dimethyl-6-[3-(trifluoromethoxy)phenyl]-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-(6-ethoxy-3-pyridinyl)-3,6-dimethyl-6-[3-(trifluoromethoxy)phenyl]-5H-pyrimidin-4-one;2-amino-3-[(1-methylsulfonylpiperidin-4-yl)methyl]-5,5-diphenylimidazol-4-one (PubChem CID 158834388) has the molecular formula C101H104F6N22O12S3 and a molecular weight of 2028.27 g/mol. Its IUPAC name is (6S)-2-amino-6-[4-(5-aminopyrazin-2-yl)thiophen-2-yl]-5-(1-benzofuran-5-yl)-3,6-dimethyl-5H-pyrimidin-4-one;3-[4-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-2-yl]benzonitrile;(5S,6S)-2-amino-5-(6-ethoxy-3-pyridinyl)-3,6-dimethyl-6-[3-(trifluoromethoxy)phenyl]-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-(6-ethoxy-3-pyridinyl)-3,6-dimethyl-6-[3-(trifluoromethoxy)phenyl]-5H-pyrimidin-4-one;2-amino-3-[(1-methylsulfonylpiperidin-4-yl)methyl]-5,5-diphenylimidazol-4-one.

Molecular Properties

Compound Name(6S)-2-amino-6-[4-(5-aminopyrazin-2-yl)thiophen-2-yl]-5-(1-benzofuran-5-yl)-3,6-dimethyl-5H-pyrimidin-4-one;3-[4-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-2-yl]benzonitrile;(5S,6S)-2-amino-5-(6-ethoxy-3-pyridinyl)-3,6-dimethyl-6-[3-(trifluoromethoxy)phenyl]-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-(6-ethoxy-3-pyridinyl)-3,6-dimethyl-6-[3-(trifluoromethoxy)phenyl]-5H-pyrimidin-4-one;2-amino-3-[(1-methylsulfonylpiperidin-4-yl)methyl]-5,5-diphenylimidazol-4-one
PubChem CID158834388
Molecular FormulaC101H104F6N22O12S3
Molecular Weight2028.27 g/mol
Exact Mass2026.73
IUPAC Name(6S)-2-amino-6-[4-(5-aminopyrazin-2-yl)thiophen-2-yl]-5-(1-benzofuran-5-yl)-3,6-dimethyl-5H-pyrimidin-4-one;3-[4-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-2-yl]benzonitrile;(5S,6S)-2-amino-5-(6-ethoxy-3-pyridinyl)-3,6-dimethyl-6-[3-(trifluoromethoxy)phenyl]-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-(6-ethoxy-3-pyridinyl)-3,6-dimethyl-6-[3-(trifluoromethoxy)phenyl]-5H-pyrimidin-4-one;2-amino-3-[(1-methylsulfonylpiperidin-4-yl)methyl]-5,5-diphenylimidazol-4-one
SMILESCCOc1ccc([C@@H]2C(=O)N(C)C(N)=N[C@]2(C)c2cccc(OC(F)(F)F)c2)cn1.CCOc1ccc([C@H]2C(=O)N(C)C(N)=N[C@]2(C)c2cccc(OC(F)(F)F)c2)cn1.CN1C(=O)C(c2ccc3occc3c2)[C@@](C)(c2cc(-c3cnc(N)cn3)cs2)N=C1N.CN1C(=O)C[C@@](C)(c2csc(-c3cccc(C#N)c3)c2)N=C1N.CS(=O)(=O)N1CCC(CN2C(=O)C(c3ccccc3)(c3ccccc3)N=C2N)CC1
InChIInChI=1S/C22H20N6O2S.C22H26N4O3S.2C20H21F3N4O3.C17H16N4OS/c1-22(17-8-14(11-31-17)15-9-26-18(23)10-25-15)19(20(29)28(2)21(24)27-22)13-3-4-16-12(7-13)5-6-30-16;1-30(28,29)25-14-12-17(13-15-25)16-26-20(27)22(24-21(26)23,18-8-4-2-5-9-18)19-10-6-3-7-11-19;2*1-4-29-15-9-8-12(11-25-15)16-17(28)27(3)18(24)26-19(16,2)13-6-5-7-14(10-13)30-20(21,22)23;1-17(8-15(22)21(2)16(19)20-17)13-7-14(23-10-13)12-5-3-4-11(6-12)9-18/h3-11,19H,1-2H3,(H2,23,26)(H2,24,27);2-11,17H,12-16H2,1H3,(H2,23,24);2*5-11,16H,4H2,1-3H3,(H2,24,26);3-7,10H,8H2,1-2H3,(H2,19,20)/t19?,22-;;16-,19+;16-,19-;17-/m1.010/s1
InChIKeyIXLHMSKJYRPMIU-IOXFSLMKSA-N
XLogP14.09
TPSA482.26 Ų
H-Bond Donors6
H-Bond Acceptors30
Rotatable Bonds20
Heavy Atoms144
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002028.27
LogP ≤ 514.09
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1030

Analyze (6S)-2-amino-6-[4-(5-aminopyrazin-2-yl)thiophen-2-yl]-5-(1-benzofuran-5-yl)-3,6-dimethyl-5H-pyrimidin-4-one;3-[4-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-2-yl]benzonitrile;(5S,6S)-2-amino-5-(6-ethoxy-3-pyridinyl)-3,6-dimethyl-6-[3-(trifluoromethoxy)phenyl]-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-(6-ethoxy-3-pyridinyl)-3,6-dimethyl-6-[3-(trifluoromethoxy)phenyl]-5H-pyrimidin-4-one;2-amino-3-[(1-methylsulfonylpiperidin-4-yl)methyl]-5,5-diphenylimidazol-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (6S)-2-amino-6-[4-(5-aminopyrazin-2-yl)thiophen-2-yl]-5-(1-benzofuran-5-yl)-3,6-dimethyl-5H-pyrimidin-4-one;3-[4-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-2-yl]benzonitrile;(5S,6S)-2-amino-5-(6-ethoxy-3-pyridinyl)-3,6-dimethyl-6-[3-(trifluoromethoxy)phenyl]-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-(6-ethoxy-3-pyridinyl)-3,6-dimethyl-6-[3-(trifluoromethoxy)phenyl]-5H-pyrimidin-4-one;2-amino-3-[(1-methylsulfonylpiperidin-4-yl)methyl]-5,5-diphenylimidazol-4-one?
The IUPAC name of (6S)-2-amino-6-[4-(5-aminopyrazin-2-yl)thiophen-2-yl]-5-(1-benzofuran-5-yl)-3,6-dimethyl-5H-pyrimidin-4-one;3-[4-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-2-yl]benzonitrile;(5S,6S)-2-amino-5-(6-ethoxy-3-pyridinyl)-3,6-dimethyl-6-[3-(trifluoromethoxy)phenyl]-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-(6-ethoxy-3-pyridinyl)-3,6-dimethyl-6-[3-(trifluoromethoxy)phenyl]-5H-pyrimidin-4-one;2-amino-3-[(1-methylsulfonylpiperidin-4-yl)methyl]-5,5-diphenylimidazol-4-one (CID 158834388) is (6S)-2-amino-6-[4-(5-aminopyrazin-2-yl)thiophen-2-yl]-5-(1-benzofuran-5-yl)-3,6-dimethyl-5H-pyrimidin-4-one;3-[4-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-2-yl]benzonitrile;(5S,6S)-2-amino-5-(6-ethoxy-3-pyridinyl)-3,6-dimethyl-6-[3-(trifluoromethoxy)phenyl]-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-(6-ethoxy-3-pyridinyl)-3,6-dimethyl-6-[3-(trifluoromethoxy)phenyl]-5H-pyrimidin-4-one;2-amino-3-[(1-methylsulfonylpiperidin-4-yl)methyl]-5,5-diphenylimidazol-4-one.
What is the SMILES notation for (6S)-2-amino-6-[4-(5-aminopyrazin-2-yl)thiophen-2-yl]-5-(1-benzofuran-5-yl)-3,6-dimethyl-5H-pyrimidin-4-one;3-[4-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-2-yl]benzonitrile;(5S,6S)-2-amino-5-(6-ethoxy-3-pyridinyl)-3,6-dimethyl-6-[3-(trifluoromethoxy)phenyl]-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-(6-ethoxy-3-pyridinyl)-3,6-dimethyl-6-[3-(trifluoromethoxy)phenyl]-5H-pyrimidin-4-one;2-amino-3-[(1-methylsulfonylpiperidin-4-yl)methyl]-5,5-diphenylimidazol-4-one?
The canonical SMILES for (6S)-2-amino-6-[4-(5-aminopyrazin-2-yl)thiophen-2-yl]-5-(1-benzofuran-5-yl)-3,6-dimethyl-5H-pyrimidin-4-one;3-[4-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-2-yl]benzonitrile;(5S,6S)-2-amino-5-(6-ethoxy-3-pyridinyl)-3,6-dimethyl-6-[3-(trifluoromethoxy)phenyl]-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-(6-ethoxy-3-pyridinyl)-3,6-dimethyl-6-[3-(trifluoromethoxy)phenyl]-5H-pyrimidin-4-one;2-amino-3-[(1-methylsulfonylpiperidin-4-yl)methyl]-5,5-diphenylimidazol-4-one is CCOc1ccc([C@@H]2C(=O)N(C)C(N)=N[C@]2(C)c2cccc(OC(F)(F)F)c2)cn1.CCOc1ccc([C@H]2C(=O)N(C)C(N)=N[C@]2(C)c2cccc(OC(F)(F)F)c2)cn1.CN1C(=O)C(c2ccc3occc3c2)[C@@](C)(c2cc(-c3cnc(N)cn3)cs2)N=C1N.CN1C(=O)C[C@@](C)(c2csc(-c3cccc(C#N)c3)c2)N=C1N.CS(=O)(=O)N1CCC(CN2C(=O)C(c3ccccc3)(c3ccccc3)N=C2N)CC1.
What is the InChIKey of (6S)-2-amino-6-[4-(5-aminopyrazin-2-yl)thiophen-2-yl]-5-(1-benzofuran-5-yl)-3,6-dimethyl-5H-pyrimidin-4-one;3-[4-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-2-yl]benzonitrile;(5S,6S)-2-amino-5-(6-ethoxy-3-pyridinyl)-3,6-dimethyl-6-[3-(trifluoromethoxy)phenyl]-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-(6-ethoxy-3-pyridinyl)-3,6-dimethyl-6-[3-(trifluoromethoxy)phenyl]-5H-pyrimidin-4-one;2-amino-3-[(1-methylsulfonylpiperidin-4-yl)methyl]-5,5-diphenylimidazol-4-one?
The InChIKey is IXLHMSKJYRPMIU-IOXFSLMKSA-N. The full InChI is InChI=1S/C22H20N6O2S.C22H26N4O3S.2C20H21F3N4O3.C17H16N4OS/c1-22(17-8-14(11-31-17)15-9-26-18(23)10-25-15)19(20(29)28(2)21(24)27-22)13-3-4-16-12(7-13)5-6-30-16;1-30(28,29)25-14-12-17(13-15-25)16-26-20(27)22(24-21(26)23,18-8-4-2-5-9-18)19-10-6-3-7-11-19;2*1-4-29-15-9-8-12(11-25-15)16-17(28)27(3)18(24)26-19(16,2)13-6-5-7-14(10-13)30-20(21,22)23;1-17(8-15(22)21(2)16(19)20-17)13-7-14(23-10-13)12-5-3-4-11(6-12)9-18/h3-11,19H,1-2H3,(H2,23,26)(H2,24,27);2-11,17H,12-16H2,1H3,(H2,23,24);2*5-11,16H,4H2,1-3H3,(H2,24,26);3-7,10H,8H2,1-2H3,(H2,19,20)/t19?,22-;;16-,19+;16-,19-;17-/m1.010/s1.
What are the key properties of (6S)-2-amino-6-[4-(5-aminopyrazin-2-yl)thiophen-2-yl]-5-(1-benzofuran-5-yl)-3,6-dimethyl-5H-pyrimidin-4-one;3-[4-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-2-yl]benzonitrile;(5S,6S)-2-amino-5-(6-ethoxy-3-pyridinyl)-3,6-dimethyl-6-[3-(trifluoromethoxy)phenyl]-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-(6-ethoxy-3-pyridinyl)-3,6-dimethyl-6-[3-(trifluoromethoxy)phenyl]-5H-pyrimidin-4-one;2-amino-3-[(1-methylsulfonylpiperidin-4-yl)methyl]-5,5-diphenylimidazol-4-one?
(6S)-2-amino-6-[4-(5-aminopyrazin-2-yl)thiophen-2-yl]-5-(1-benzofuran-5-yl)-3,6-dimethyl-5H-pyrimidin-4-one;3-[4-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-2-yl]benzonitrile;(5S,6S)-2-amino-5-(6-ethoxy-3-pyridinyl)-3,6-dimethyl-6-[3-(trifluoromethoxy)phenyl]-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-(6-ethoxy-3-pyridinyl)-3,6-dimethyl-6-[3-(trifluoromethoxy)phenyl]-5H-pyrimidin-4-one;2-amino-3-[(1-methylsulfonylpiperidin-4-yl)methyl]-5,5-diphenylimidazol-4-one has a molecular weight of 2028.27 g/mol, XLogP of 14.09, 20 rotatable bonds, 6 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-2-amino-6-[4-(5-aminopyrazin-2-yl)thiophen-2-yl]-5-(1-benzofuran-5-yl)-3,6-dimethyl-5H-pyrimidin-4-one;3-[4-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-2-yl]benzonitrile;(5S,6S)-2-amino-5-(6-ethoxy-3-pyridinyl)-3,6-dimethyl-6-[3-(trifluoromethoxy)phenyl]-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-(6-ethoxy-3-pyridinyl)-3,6-dimethyl-6-[3-(trifluoromethoxy)phenyl]-5H-pyrimidin-4-one;2-amino-3-[(1-methylsulfonylpiperidin-4-yl)methyl]-5,5-diphenylimidazol-4-one is sourced from PubChem (CID 158834388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).