(5S,6S)-2-amino-6-[4-(5-chloro-6-methoxy-3-pyridinyl)thiophen-2-yl]-5-(4-cyclopropylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-[4-(5-chloro-6-methoxy-3-pyridinyl)thiophen-2-yl]-5-(4-cyclopropylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5S,6S)-2-amino-6-(3-chloro-4-methylthiophen-2-yl)-5-[4-(1,1-difluoroethyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one;3-[5-[(4S,5S)-2-amino-1,4-dimethyl-6-oxo-5-[1-(trifluoromethylsulfonyl)piperidin-4-yl]-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;2-amino-3-[(4-methoxyphenyl)methyl]-5,5-diphenylimidazol-4-one

C115H115Cl3F5N19O10S5 — CID 161223879

IUPAC(5S,6S)-2-amino-6-[4-(5-chloro-6-methoxy-3-pyridinyl)thiophen-2-yl]-5-(4-cyclopropylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-[4-(5-chloro-6-methoxy-3-pyridinyl)thiophen-2-yl]-5-(4-cyclopropylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5S,6S)-2-amino-6-(3-chloro-4-methylthiophen-2-yl)-5-[4-(1,1-difluoroethyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one;3-[5-[(4S,5S)-2-amino-1,4-dimethyl-6-oxo-5-[1-(trifluoromethylsulfonyl)piperidin-4-yl]-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;2-amino-3-[(4-methoxyphenyl)methyl]-5,5-diphenylimidazol-4-one
SMILESCN1C(=O)[C@@H](C2CCN(S(=O)(=O)C(F)(F)F)CC2)[C@@](C)(c2cc(-c3cccc(C#N)c3)cs2)N=C1N.COc1ccc(CN2C(=O)C(c3ccccc3)(c3ccccc3)N=C2N)cc1.COc1ncc(-c2csc([C@@]3(C)N=C(N)N(C)C(=O)[C@@H]3c3ccc(C4CC4)cc3)c2)cc1Cl.COc1ncc(-c2csc([C@@]3(C)N=C(N)N(C)C(=O)[C@H]3c3ccc(C4CC4)cc3)c2)cc1Cl.Cc1csc([C@@]2(C)N=C(N)N(C)C(=O)[C@H]2c2ccc(C(C)(F)F)cc2)c1Cl
InChIInChI=1S/2C25H25ClN4O2S.C23H24F3N5O3S2.C23H21N3O2.C19H20ClF2N3OS/c2*1-25(20-11-18(13-33-20)17-10-19(26)22(32-3)28-12-17)21(23(31)30(2)24(27)29-25)16-8-6-15(7-9-16)14-4-5-14;1-22(18-11-17(13-35-18)16-5-3-4-14(10-16)12-27)19(20(32)30(2)21(28)29-22)15-6-8-31(9-7-15)36(33,34)23(24,25)26;1-28-20-14-12-17(13-15-20)16-26-21(27)23(25-22(26)24,18-8-4-2-5-9-18)19-10-6-3-7-11-19;1-10-9-27-15(14(10)20)18(2)13(16(26)25(4)17(23)24-18)11-5-7-12(8-6-11)19(3,21)22/h2*6-14,21H,4-5H2,1-3H3,(H2,27,29);3-5,10-11,13,15,19H,6-9H2,1-2H3,(H2,28,29);2-15H,16H2,1H3,(H2,24,25);5-9,13H,1-4H3,(H2,23,24)/t21-,25+;21-,25-;19-,22-;;13-,18+/m011.1/s1
InChIKeyUXWHTEXWTCPSNJ-IRMRJRTBSA-N
MW2284.99 g/mol
LogP21.64
Rot. Bonds22

About (5S,6S)-2-amino-6-[4-(5-chloro-6-methoxy-3-pyridinyl)thiophen-2-yl]-5-(4-cyclopropylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-[4-(5-chloro-6-methoxy-3-pyridinyl)thiophen-2-yl]-5-(4-cyclopropylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5S,6S)-2-amino-6-(3-chloro-4-methylthiophen-2-yl)-5-[4-(1,1-difluoroethyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one;3-[5-[(4S,5S)-2-amino-1,4-dimethyl-6-oxo-5-[1-(trifluoromethylsulfonyl)piperidin-4-yl]-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;2-amino-3-[(4-methoxyphenyl)methyl]-5,5-diphenylimidazol-4-one

(5S,6S)-2-amino-6-[4-(5-chloro-6-methoxy-3-pyridinyl)thiophen-2-yl]-5-(4-cyclopropylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-[4-(5-chloro-6-methoxy-3-pyridinyl)thiophen-2-yl]-5-(4-cyclopropylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5S,6S)-2-amino-6-(3-chloro-4-methylthiophen-2-yl)-5-[4-(1,1-difluoroethyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one;3-[5-[(4S,5S)-2-amino-1,4-dimethyl-6-oxo-5-[1-(trifluoromethylsulfonyl)piperidin-4-yl]-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;2-amino-3-[(4-methoxyphenyl)methyl]-5,5-diphenylimidazol-4-one (PubChem CID 161223879) has the molecular formula C115H115Cl3F5N19O10S5 and a molecular weight of 2284.99 g/mol. Its IUPAC name is (5S,6S)-2-amino-6-[4-(5-chloro-6-methoxy-3-pyridinyl)thiophen-2-yl]-5-(4-cyclopropylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-[4-(5-chloro-6-methoxy-3-pyridinyl)thiophen-2-yl]-5-(4-cyclopropylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5S,6S)-2-amino-6-(3-chloro-4-methylthiophen-2-yl)-5-[4-(1,1-difluoroethyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one;3-[5-[(4S,5S)-2-amino-1,4-dimethyl-6-oxo-5-[1-(trifluoromethylsulfonyl)piperidin-4-yl]-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;2-amino-3-[(4-methoxyphenyl)methyl]-5,5-diphenylimidazol-4-one.

Molecular Properties

Compound Name(5S,6S)-2-amino-6-[4-(5-chloro-6-methoxy-3-pyridinyl)thiophen-2-yl]-5-(4-cyclopropylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-[4-(5-chloro-6-methoxy-3-pyridinyl)thiophen-2-yl]-5-(4-cyclopropylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5S,6S)-2-amino-6-(3-chloro-4-methylthiophen-2-yl)-5-[4-(1,1-difluoroethyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one;3-[5-[(4S,5S)-2-amino-1,4-dimethyl-6-oxo-5-[1-(trifluoromethylsulfonyl)piperidin-4-yl]-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;2-amino-3-[(4-methoxyphenyl)methyl]-5,5-diphenylimidazol-4-one
PubChem CID161223879
Molecular FormulaC115H115Cl3F5N19O10S5
Molecular Weight2284.99 g/mol
Exact Mass2281.67
IUPAC Name(5S,6S)-2-amino-6-[4-(5-chloro-6-methoxy-3-pyridinyl)thiophen-2-yl]-5-(4-cyclopropylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-[4-(5-chloro-6-methoxy-3-pyridinyl)thiophen-2-yl]-5-(4-cyclopropylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5S,6S)-2-amino-6-(3-chloro-4-methylthiophen-2-yl)-5-[4-(1,1-difluoroethyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one;3-[5-[(4S,5S)-2-amino-1,4-dimethyl-6-oxo-5-[1-(trifluoromethylsulfonyl)piperidin-4-yl]-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;2-amino-3-[(4-methoxyphenyl)methyl]-5,5-diphenylimidazol-4-one
SMILESCN1C(=O)[C@@H](C2CCN(S(=O)(=O)C(F)(F)F)CC2)[C@@](C)(c2cc(-c3cccc(C#N)c3)cs2)N=C1N.COc1ccc(CN2C(=O)C(c3ccccc3)(c3ccccc3)N=C2N)cc1.COc1ncc(-c2csc([C@@]3(C)N=C(N)N(C)C(=O)[C@@H]3c3ccc(C4CC4)cc3)c2)cc1Cl.COc1ncc(-c2csc([C@@]3(C)N=C(N)N(C)C(=O)[C@H]3c3ccc(C4CC4)cc3)c2)cc1Cl.Cc1csc([C@@]2(C)N=C(N)N(C)C(=O)[C@H]2c2ccc(C(C)(F)F)cc2)c1Cl
InChIInChI=1S/2C25H25ClN4O2S.C23H24F3N5O3S2.C23H21N3O2.C19H20ClF2N3OS/c2*1-25(20-11-18(13-33-20)17-10-19(26)22(32-3)28-12-17)21(23(31)30(2)24(27)29-25)16-8-6-15(7-9-16)14-4-5-14;1-22(18-11-17(13-35-18)16-5-3-4-14(10-16)12-27)19(20(32)30(2)21(28)29-22)15-6-8-31(9-7-15)36(33,34)23(24,25)26;1-28-20-14-12-17(13-15-20)16-26-21(27)23(25-22(26)24,18-8-4-2-5-9-18)19-10-6-3-7-11-19;1-10-9-27-15(14(10)20)18(2)13(16(26)25(4)17(23)24-18)11-5-7-12(8-6-11)19(3,21)22/h2*6-14,21H,4-5H2,1-3H3,(H2,27,29);3-5,10-11,13,15,19H,6-9H2,1-2H3,(H2,28,29);2-15H,16H2,1H3,(H2,24,25);5-9,13H,1-4H3,(H2,23,24)/t21-,25+;21-,25-;19-,22-;;13-,18+/m011.1/s1
InChIKeyUXWHTEXWTCPSNJ-IRMRJRTBSA-N
XLogP21.64
TPSA408.09 Ų
H-Bond Donors5
H-Bond Acceptors27
Rotatable Bonds22
Heavy Atoms157
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002284.99
LogP ≤ 521.64
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1027

Analyze (5S,6S)-2-amino-6-[4-(5-chloro-6-methoxy-3-pyridinyl)thiophen-2-yl]-5-(4-cyclopropylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-[4-(5-chloro-6-methoxy-3-pyridinyl)thiophen-2-yl]-5-(4-cyclopropylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5S,6S)-2-amino-6-(3-chloro-4-methylthiophen-2-yl)-5-[4-(1,1-difluoroethyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one;3-[5-[(4S,5S)-2-amino-1,4-dimethyl-6-oxo-5-[1-(trifluoromethylsulfonyl)piperidin-4-yl]-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;2-amino-3-[(4-methoxyphenyl)methyl]-5,5-diphenylimidazol-4-one with MolForge

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Launch Full Analysis

Related Compounds

N-[3-[[(4S)-2-amino-4-(1-benzothiophen-5-yl)-4-methyl-6-oxo-5H-pyrimidin-1-yl]methyl]phenyl]-N-methylmethanesulfonamide;2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-[4-(dimethylamino)butyl]imidazol-4-one;5-[1-[2-amino-4-[4-(1,1-difluoroethyl)phenyl]-1-methyl-5-oxoimidazol-4-yl]ethenyl]thiophene-2-carbonitrile;2-amino-3-[[3-(2-methoxy-3-pyridinyl)phenyl]methyl]-5,5-diphenylimidazol-4-one;2-amino-3-(2-morpholin-4-ylethyl)-5,5-diphenylimidazol-4-one
CID 160338271
N-[1-[[2-[3-[1-[(1-acetylpiperidin-4-yl)methyl]-2-amino-4-methyl-5-oxoimidazol-4-yl]phenyl]-4-methoxyphenyl]methyl]pyrrolidin-3-yl]acetamide;3-[5-[(4S,5S)-2-amino-5-(5-chloro-2-pyridinyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;3-[5-[(4S,5R)-2-amino-5-(5-chloro-2-pyridinyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;(6S)-2-amino-3,6-dimethyl-6-[4-methyl-5-[3-(trifluoromethoxy)phenyl]thiophen-2-yl]-5H-pyrimidin-4-one;3-[3-[(4S,5S)-2-amino-1,4-dimethyl-6-oxo-5-propyl-5H-pyrimidin-4-yl]phenyl]benzonitrile
CID 160491267
(6S)-2-amino-6-(4-bromothiophen-2-yl)-3,6-dimethyl-5H-pyrimidin-4-one;1-[4-[(4S,5S)-2-amino-4-[4-(5-chloro-3-pyridinyl)thiophen-2-yl]-1,4-dimethyl-6-oxo-5H-pyrimidin-5-yl]phenyl]cyclopropane-1-carbonitrile;1-[4-[(4S,5R)-2-amino-4-[4-(5-chloro-3-pyridinyl)thiophen-2-yl]-1,4-dimethyl-6-oxo-5H-pyrimidin-5-yl]phenyl]cyclopropane-1-carbonitrile;2-amino-3-[[(3S)-1-(cyclopropanecarbonyl)piperidin-3-yl]methyl]-5,5-diphenylimidazol-4-one;2-amino-3-methyl-5-phenyl-5-[5-[3-(trifluoromethoxy)phenyl]thiophen-2-yl]imidazol-4-one
CID 161593480
(5R)-2-amino-5-butyl-3-methyl-5-[(3R)-1-(2-phenylacetyl)piperidin-3-yl]imidazol-4-one;(5R,6S)-2-amino-5-cyclopropyl-3,6-dimethyl-6-(4-pyridin-3-ylthiophen-2-yl)-5H-pyrimidin-4-one;3-[2-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-1,3-thiazol-5-yl]-5-chlorobenzonitrile;(6S)-2-amino-6-[5-(3-fluoro-5-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;(5S,6S)-2-amino-5-(4-methoxyphenyl)-3,6-dimethyl-6-(1,3-thiazol-5-yl)-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-(4-methoxyphenyl)-3,6-dimethyl-6-(1,3-thiazol-5-yl)-5H-pyrimidin-4-one;3-[5-[(4S)-2-amino-4-methyl-6-oxo-1-(pyridin-4-ylmethyl)-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile
CID 157486825
3-[5-[(4S,5R)-2-amino-5-cyclopropyl-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]-5-chlorobenzonitrile;3-[5-[(4S)-2-amino-1,4-dimethyl-5-[3-(4-methylphenyl)propyl]-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;2-amino-3-[[3-[(2R)-2-(methoxymethyl)pyrrolidine-1-carbonyl]phenyl]methyl]-5-methyl-5-phenylimidazol-4-one;(6S)-2-amino-6-[3-(2-methoxy-3-pyridinyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one;3-[5-[(4S,5R)-2-amino-1,4,5-trimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]-5-chlorobenzonitrile
CID 159422142
3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-[5-methoxy-2-[(pyridin-3-ylamino)methyl]phenyl]phenyl]-5-methylimidazol-4-one;3-[5-[(4S,5S)-2-amino-5-(4-chlorophenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;3-[5-[(4S,5R)-2-amino-5-(4-chlorophenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;(6S)-2-amino-6-[4-(3-cyclopropylphenyl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;5-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]thiophene-2-carbonitrile
CID 159438570

Frequently Asked Questions

What is the IUPAC name of (5S,6S)-2-amino-6-[4-(5-chloro-6-methoxy-3-pyridinyl)thiophen-2-yl]-5-(4-cyclopropylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-[4-(5-chloro-6-methoxy-3-pyridinyl)thiophen-2-yl]-5-(4-cyclopropylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5S,6S)-2-amino-6-(3-chloro-4-methylthiophen-2-yl)-5-[4-(1,1-difluoroethyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one;3-[5-[(4S,5S)-2-amino-1,4-dimethyl-6-oxo-5-[1-(trifluoromethylsulfonyl)piperidin-4-yl]-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;2-amino-3-[(4-methoxyphenyl)methyl]-5,5-diphenylimidazol-4-one?
The IUPAC name of (5S,6S)-2-amino-6-[4-(5-chloro-6-methoxy-3-pyridinyl)thiophen-2-yl]-5-(4-cyclopropylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-[4-(5-chloro-6-methoxy-3-pyridinyl)thiophen-2-yl]-5-(4-cyclopropylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5S,6S)-2-amino-6-(3-chloro-4-methylthiophen-2-yl)-5-[4-(1,1-difluoroethyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one;3-[5-[(4S,5S)-2-amino-1,4-dimethyl-6-oxo-5-[1-(trifluoromethylsulfonyl)piperidin-4-yl]-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;2-amino-3-[(4-methoxyphenyl)methyl]-5,5-diphenylimidazol-4-one (CID 161223879) is (5S,6S)-2-amino-6-[4-(5-chloro-6-methoxy-3-pyridinyl)thiophen-2-yl]-5-(4-cyclopropylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-[4-(5-chloro-6-methoxy-3-pyridinyl)thiophen-2-yl]-5-(4-cyclopropylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5S,6S)-2-amino-6-(3-chloro-4-methylthiophen-2-yl)-5-[4-(1,1-difluoroethyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one;3-[5-[(4S,5S)-2-amino-1,4-dimethyl-6-oxo-5-[1-(trifluoromethylsulfonyl)piperidin-4-yl]-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;2-amino-3-[(4-methoxyphenyl)methyl]-5,5-diphenylimidazol-4-one.
What is the SMILES notation for (5S,6S)-2-amino-6-[4-(5-chloro-6-methoxy-3-pyridinyl)thiophen-2-yl]-5-(4-cyclopropylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-[4-(5-chloro-6-methoxy-3-pyridinyl)thiophen-2-yl]-5-(4-cyclopropylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5S,6S)-2-amino-6-(3-chloro-4-methylthiophen-2-yl)-5-[4-(1,1-difluoroethyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one;3-[5-[(4S,5S)-2-amino-1,4-dimethyl-6-oxo-5-[1-(trifluoromethylsulfonyl)piperidin-4-yl]-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;2-amino-3-[(4-methoxyphenyl)methyl]-5,5-diphenylimidazol-4-one?
The canonical SMILES for (5S,6S)-2-amino-6-[4-(5-chloro-6-methoxy-3-pyridinyl)thiophen-2-yl]-5-(4-cyclopropylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-[4-(5-chloro-6-methoxy-3-pyridinyl)thiophen-2-yl]-5-(4-cyclopropylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5S,6S)-2-amino-6-(3-chloro-4-methylthiophen-2-yl)-5-[4-(1,1-difluoroethyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one;3-[5-[(4S,5S)-2-amino-1,4-dimethyl-6-oxo-5-[1-(trifluoromethylsulfonyl)piperidin-4-yl]-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;2-amino-3-[(4-methoxyphenyl)methyl]-5,5-diphenylimidazol-4-one is CN1C(=O)[C@@H](C2CCN(S(=O)(=O)C(F)(F)F)CC2)[C@@](C)(c2cc(-c3cccc(C#N)c3)cs2)N=C1N.COc1ccc(CN2C(=O)C(c3ccccc3)(c3ccccc3)N=C2N)cc1.COc1ncc(-c2csc([C@@]3(C)N=C(N)N(C)C(=O)[C@@H]3c3ccc(C4CC4)cc3)c2)cc1Cl.COc1ncc(-c2csc([C@@]3(C)N=C(N)N(C)C(=O)[C@H]3c3ccc(C4CC4)cc3)c2)cc1Cl.Cc1csc([C@@]2(C)N=C(N)N(C)C(=O)[C@H]2c2ccc(C(C)(F)F)cc2)c1Cl.
What is the InChIKey of (5S,6S)-2-amino-6-[4-(5-chloro-6-methoxy-3-pyridinyl)thiophen-2-yl]-5-(4-cyclopropylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-[4-(5-chloro-6-methoxy-3-pyridinyl)thiophen-2-yl]-5-(4-cyclopropylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5S,6S)-2-amino-6-(3-chloro-4-methylthiophen-2-yl)-5-[4-(1,1-difluoroethyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one;3-[5-[(4S,5S)-2-amino-1,4-dimethyl-6-oxo-5-[1-(trifluoromethylsulfonyl)piperidin-4-yl]-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;2-amino-3-[(4-methoxyphenyl)methyl]-5,5-diphenylimidazol-4-one?
The InChIKey is UXWHTEXWTCPSNJ-IRMRJRTBSA-N. The full InChI is InChI=1S/2C25H25ClN4O2S.C23H24F3N5O3S2.C23H21N3O2.C19H20ClF2N3OS/c2*1-25(20-11-18(13-33-20)17-10-19(26)22(32-3)28-12-17)21(23(31)30(2)24(27)29-25)16-8-6-15(7-9-16)14-4-5-14;1-22(18-11-17(13-35-18)16-5-3-4-14(10-16)12-27)19(20(32)30(2)21(28)29-22)15-6-8-31(9-7-15)36(33,34)23(24,25)26;1-28-20-14-12-17(13-15-20)16-26-21(27)23(25-22(26)24,18-8-4-2-5-9-18)19-10-6-3-7-11-19;1-10-9-27-15(14(10)20)18(2)13(16(26)25(4)17(23)24-18)11-5-7-12(8-6-11)19(3,21)22/h2*6-14,21H,4-5H2,1-3H3,(H2,27,29);3-5,10-11,13,15,19H,6-9H2,1-2H3,(H2,28,29);2-15H,16H2,1H3,(H2,24,25);5-9,13H,1-4H3,(H2,23,24)/t21-,25+;21-,25-;19-,22-;;13-,18+/m011.1/s1.
What are the key properties of (5S,6S)-2-amino-6-[4-(5-chloro-6-methoxy-3-pyridinyl)thiophen-2-yl]-5-(4-cyclopropylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-[4-(5-chloro-6-methoxy-3-pyridinyl)thiophen-2-yl]-5-(4-cyclopropylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5S,6S)-2-amino-6-(3-chloro-4-methylthiophen-2-yl)-5-[4-(1,1-difluoroethyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one;3-[5-[(4S,5S)-2-amino-1,4-dimethyl-6-oxo-5-[1-(trifluoromethylsulfonyl)piperidin-4-yl]-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;2-amino-3-[(4-methoxyphenyl)methyl]-5,5-diphenylimidazol-4-one?
(5S,6S)-2-amino-6-[4-(5-chloro-6-methoxy-3-pyridinyl)thiophen-2-yl]-5-(4-cyclopropylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-[4-(5-chloro-6-methoxy-3-pyridinyl)thiophen-2-yl]-5-(4-cyclopropylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5S,6S)-2-amino-6-(3-chloro-4-methylthiophen-2-yl)-5-[4-(1,1-difluoroethyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one;3-[5-[(4S,5S)-2-amino-1,4-dimethyl-6-oxo-5-[1-(trifluoromethylsulfonyl)piperidin-4-yl]-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;2-amino-3-[(4-methoxyphenyl)methyl]-5,5-diphenylimidazol-4-one has a molecular weight of 2284.99 g/mol, XLogP of 21.64, 22 rotatable bonds, 5 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6S)-2-amino-6-[4-(5-chloro-6-methoxy-3-pyridinyl)thiophen-2-yl]-5-(4-cyclopropylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-[4-(5-chloro-6-methoxy-3-pyridinyl)thiophen-2-yl]-5-(4-cyclopropylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5S,6S)-2-amino-6-(3-chloro-4-methylthiophen-2-yl)-5-[4-(1,1-difluoroethyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one;3-[5-[(4S,5S)-2-amino-1,4-dimethyl-6-oxo-5-[1-(trifluoromethylsulfonyl)piperidin-4-yl]-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;2-amino-3-[(4-methoxyphenyl)methyl]-5,5-diphenylimidazol-4-one is sourced from PubChem (CID 161223879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).