(6S)-2-amino-6-(1-benzothiophen-5-yl)-6-methyl-3-(pyridin-2-ylmethyl)-5H-pyrimidin-4-one;(6R)-2-amino-6-(4-bromothiophen-2-yl)-6-cyclopropyl-3-methyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-(3-chloro-4-methylthiophen-2-yl)-5-[4-(1,1-difluoroethyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one;3-[(4S,5S)-2-amino-5-[4-(1-cyanocyclobutyl)phenyl]-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]benzonitrile;3-[(4S,5R)-2-amino-5-[4-(1-cyanocyclobutyl)phenyl]-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]benzonitrile;2-amino-3-[(2,4-difluorophenyl)methyl]-5,5-diphenylimidazol-4-one;3-[5-[(4S,5R)-2-amino-1,5-dimethyl-6-oxo-4,5-dihydropyrimidin-4-yl]-2-methylthiophen-3-yl]benzonitrile

C138H133BrClF4N27O7S4 — CID 159145636

IUPAC(6S)-2-amino-6-(1-benzothiophen-5-yl)-6-methyl-3-(pyridin-2-ylmethyl)-5H-pyrimidin-4-one;(6R)-2-amino-6-(4-bromothiophen-2-yl)-6-cyclopropyl-3-methyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-(3-chloro-4-methylthiophen-2-yl)-5-[4-(1,1-difluoroethyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one;3-[(4S,5S)-2-amino-5-[4-(1-cyanocyclobutyl)phenyl]-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]benzonitrile;3-[(4S,5R)-2-amino-5-[4-(1-cyanocyclobutyl)phenyl]-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]benzonitrile;2-amino-3-[(2,4-difluorophenyl)methyl]-5,5-diphenylimidazol-4-one;3-[5-[(4S,5R)-2-amino-1,5-dimethyl-6-oxo-4,5-dihydropyrimidin-4-yl]-2-methylthiophen-3-yl]benzonitrile
SMILESCN1C(=O)C[C@](c2cc(Br)cs2)(C2CC2)N=C1N.CN1C(=O)[C@@H](c2ccc(C3(C#N)CCC3)cc2)[C@@](C)(c2cccc(C#N)c2)N=C1N.CN1C(=O)[C@H](c2ccc(C3(C#N)CCC3)cc2)[C@@](C)(c2cccc(C#N)c2)N=C1N.C[C@@]1(c2ccc3sccc3c2)CC(=O)N(Cc2ccccn2)C(N)=N1.Cc1csc([C@@]2(C)N=C(N)N(C)C(=O)[C@@H]2c2ccc(C(C)(F)F)cc2)c1Cl.Cc1sc([C@H]2N=C(N)N(C)C(=O)[C@@H]2C)cc1-c1cccc(C#N)c1.NC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1Cc1ccc(F)cc1F
InChIInChI=1S/2C24H23N5O.C22H17F2N3O.C19H20ClF2N3OS.C19H18N4OS.C18H18N4OS.C12H14BrN3OS/c2*1-23(19-6-3-5-16(13-19)14-25)20(21(30)29(2)22(27)28-23)17-7-9-18(10-8-17)24(15-26)11-4-12-24;23-18-12-11-15(19(24)13-18)14-27-20(28)22(26-21(27)25,16-7-3-1-4-8-16)17-9-5-2-6-10-17;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;1-19(14-5-6-16-13(10-14)7-9-25-16)11-17(24)23(18(20)22-19)12-15-4-2-3-8-21-15;1-10-16(21-18(20)22(3)17(10)23)15-8-14(11(2)24-15)13-6-4-5-12(7-13)9-19;1-16-10(17)5-12(7-2-3-7,15-11(16)14)9-4-8(13)6-18-9/h2*3,5-10,13,20H,4,11-12H2,1-2H3,(H2,27,28);1-13H,14H2,(H2,25,26);5-9,13H,1-4H3,(H2,23,24);2-10H,11-12H2,1H3,(H2,20,22);4-8,10,16H,1-3H3,(H2,20,21);4,6-7H,2-3,5H2,1H3,(H2,14,15)/t20-,23+;20-,23-;;13-,18-;19-;10-,16+;12-/m01.0011/s1
InChIKeyKIQJNKHYOWCYAM-FVKHDWLZSA-N
MW2601.38 g/mol
LogP23.36
Rot. Bonds20

About (6S)-2-amino-6-(1-benzothiophen-5-yl)-6-methyl-3-(pyridin-2-ylmethyl)-5H-pyrimidin-4-one;(6R)-2-amino-6-(4-bromothiophen-2-yl)-6-cyclopropyl-3-methyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-(3-chloro-4-methylthiophen-2-yl)-5-[4-(1,1-difluoroethyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one;3-[(4S,5S)-2-amino-5-[4-(1-cyanocyclobutyl)phenyl]-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]benzonitrile;3-[(4S,5R)-2-amino-5-[4-(1-cyanocyclobutyl)phenyl]-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]benzonitrile;2-amino-3-[(2,4-difluorophenyl)methyl]-5,5-diphenylimidazol-4-one;3-[5-[(4S,5R)-2-amino-1,5-dimethyl-6-oxo-4,5-dihydropyrimidin-4-yl]-2-methylthiophen-3-yl]benzonitrile

(6S)-2-amino-6-(1-benzothiophen-5-yl)-6-methyl-3-(pyridin-2-ylmethyl)-5H-pyrimidin-4-one;(6R)-2-amino-6-(4-bromothiophen-2-yl)-6-cyclopropyl-3-methyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-(3-chloro-4-methylthiophen-2-yl)-5-[4-(1,1-difluoroethyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one;3-[(4S,5S)-2-amino-5-[4-(1-cyanocyclobutyl)phenyl]-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]benzonitrile;3-[(4S,5R)-2-amino-5-[4-(1-cyanocyclobutyl)phenyl]-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]benzonitrile;2-amino-3-[(2,4-difluorophenyl)methyl]-5,5-diphenylimidazol-4-one;3-[5-[(4S,5R)-2-amino-1,5-dimethyl-6-oxo-4,5-dihydropyrimidin-4-yl]-2-methylthiophen-3-yl]benzonitrile (PubChem CID 159145636) has the molecular formula C138H133BrClF4N27O7S4 and a molecular weight of 2601.38 g/mol. Its IUPAC name is (6S)-2-amino-6-(1-benzothiophen-5-yl)-6-methyl-3-(pyridin-2-ylmethyl)-5H-pyrimidin-4-one;(6R)-2-amino-6-(4-bromothiophen-2-yl)-6-cyclopropyl-3-methyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-(3-chloro-4-methylthiophen-2-yl)-5-[4-(1,1-difluoroethyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one;3-[(4S,5S)-2-amino-5-[4-(1-cyanocyclobutyl)phenyl]-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]benzonitrile;3-[(4S,5R)-2-amino-5-[4-(1-cyanocyclobutyl)phenyl]-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]benzonitrile;2-amino-3-[(2,4-difluorophenyl)methyl]-5,5-diphenylimidazol-4-one;3-[5-[(4S,5R)-2-amino-1,5-dimethyl-6-oxo-4,5-dihydropyrimidin-4-yl]-2-methylthiophen-3-yl]benzonitrile.

Molecular Properties

Compound Name(6S)-2-amino-6-(1-benzothiophen-5-yl)-6-methyl-3-(pyridin-2-ylmethyl)-5H-pyrimidin-4-one;(6R)-2-amino-6-(4-bromothiophen-2-yl)-6-cyclopropyl-3-methyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-(3-chloro-4-methylthiophen-2-yl)-5-[4-(1,1-difluoroethyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one;3-[(4S,5S)-2-amino-5-[4-(1-cyanocyclobutyl)phenyl]-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]benzonitrile;3-[(4S,5R)-2-amino-5-[4-(1-cyanocyclobutyl)phenyl]-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]benzonitrile;2-amino-3-[(2,4-difluorophenyl)methyl]-5,5-diphenylimidazol-4-one;3-[5-[(4S,5R)-2-amino-1,5-dimethyl-6-oxo-4,5-dihydropyrimidin-4-yl]-2-methylthiophen-3-yl]benzonitrile
PubChem CID159145636
Molecular FormulaC138H133BrClF4N27O7S4
Molecular Weight2601.38 g/mol
Exact Mass2597.86
IUPAC Name(6S)-2-amino-6-(1-benzothiophen-5-yl)-6-methyl-3-(pyridin-2-ylmethyl)-5H-pyrimidin-4-one;(6R)-2-amino-6-(4-bromothiophen-2-yl)-6-cyclopropyl-3-methyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-(3-chloro-4-methylthiophen-2-yl)-5-[4-(1,1-difluoroethyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one;3-[(4S,5S)-2-amino-5-[4-(1-cyanocyclobutyl)phenyl]-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]benzonitrile;3-[(4S,5R)-2-amino-5-[4-(1-cyanocyclobutyl)phenyl]-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]benzonitrile;2-amino-3-[(2,4-difluorophenyl)methyl]-5,5-diphenylimidazol-4-one;3-[5-[(4S,5R)-2-amino-1,5-dimethyl-6-oxo-4,5-dihydropyrimidin-4-yl]-2-methylthiophen-3-yl]benzonitrile
SMILESCN1C(=O)C[C@](c2cc(Br)cs2)(C2CC2)N=C1N.CN1C(=O)[C@@H](c2ccc(C3(C#N)CCC3)cc2)[C@@](C)(c2cccc(C#N)c2)N=C1N.CN1C(=O)[C@H](c2ccc(C3(C#N)CCC3)cc2)[C@@](C)(c2cccc(C#N)c2)N=C1N.C[C@@]1(c2ccc3sccc3c2)CC(=O)N(Cc2ccccn2)C(N)=N1.Cc1csc([C@@]2(C)N=C(N)N(C)C(=O)[C@@H]2c2ccc(C(C)(F)F)cc2)c1Cl.Cc1sc([C@H]2N=C(N)N(C)C(=O)[C@@H]2C)cc1-c1cccc(C#N)c1.NC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1Cc1ccc(F)cc1F
InChIInChI=1S/2C24H23N5O.C22H17F2N3O.C19H20ClF2N3OS.C19H18N4OS.C18H18N4OS.C12H14BrN3OS/c2*1-23(19-6-3-5-16(13-19)14-25)20(21(30)29(2)22(27)28-23)17-7-9-18(10-8-17)24(15-26)11-4-12-24;23-18-12-11-15(19(24)13-18)14-27-20(28)22(26-21(27)25,16-7-3-1-4-8-16)17-9-5-2-6-10-17;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;1-19(14-5-6-16-13(10-14)7-9-25-16)11-17(24)23(18(20)22-19)12-15-4-2-3-8-21-15;1-10-16(21-18(20)22(3)17(10)23)15-8-14(11(2)24-15)13-6-4-5-12(7-13)9-19;1-16-10(17)5-12(7-2-3-7,15-11(16)14)9-4-8(13)6-18-9/h2*3,5-10,13,20H,4,11-12H2,1-2H3,(H2,27,28);1-13H,14H2,(H2,25,26);5-9,13H,1-4H3,(H2,23,24);2-10H,11-12H2,1H3,(H2,20,22);4-8,10,16H,1-3H3,(H2,20,21);4,6-7H,2-3,5H2,1H3,(H2,14,15)/t20-,23+;20-,23-;;13-,18-;19-;10-,16+;12-/m01.0011/s1
InChIKeyKIQJNKHYOWCYAM-FVKHDWLZSA-N
XLogP23.36
TPSA542.67 Ų
H-Bond Donors7
H-Bond Acceptors31
Rotatable Bonds20
Heavy Atoms182
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002601.38
LogP ≤ 523.36
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1031

Analyze (6S)-2-amino-6-(1-benzothiophen-5-yl)-6-methyl-3-(pyridin-2-ylmethyl)-5H-pyrimidin-4-one;(6R)-2-amino-6-(4-bromothiophen-2-yl)-6-cyclopropyl-3-methyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-(3-chloro-4-methylthiophen-2-yl)-5-[4-(1,1-difluoroethyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one;3-[(4S,5S)-2-amino-5-[4-(1-cyanocyclobutyl)phenyl]-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]benzonitrile;3-[(4S,5R)-2-amino-5-[4-(1-cyanocyclobutyl)phenyl]-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]benzonitrile;2-amino-3-[(2,4-difluorophenyl)methyl]-5,5-diphenylimidazol-4-one;3-[5-[(4S,5R)-2-amino-1,5-dimethyl-6-oxo-4,5-dihydropyrimidin-4-yl]-2-methylthiophen-3-yl]benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(6S)-2-amino-6-(2-bromo-4-pyridinyl)-3,6-dimethyl-5H-pyrimidin-4-one;3-[5-[(4S)-2-amino-5-[4-(1-cyanocyclobutyl)phenyl]-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-2-yl]benzonitrile;(5S,6S)-2-amino-5-(4-cyclopropylphenyl)-6-[4-(5-fluoro-2-pyridinyl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;5-[(4S,5S)-2-amino-5-[3-fluoro-4-(trifluoromethyl)phenyl]-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophene-2-carbonitrile;5-[(4S,5R)-2-amino-5-[3-fluoro-4-(trifluoromethyl)phenyl]-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophene-2-carbonitrile
CID 158607005
(6S)-2-amino-6-(2-bromo-4-pyridinyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5S,6S)-2-amino-5-(4-cyclopropylphenyl)-6-[4-(5-fluoro-2-pyridinyl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;5-[(4S,5S)-2-amino-5-[3-fluoro-4-(trifluoromethyl)phenyl]-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophene-2-carbonitrile;5-[(4S,5R)-2-amino-5-[3-fluoro-4-(trifluoromethyl)phenyl]-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophene-2-carbonitrile;3-[5-[(4S)-3-[4-(1-cyanocyclobutyl)phenyl]-6-imino-1,4-dimethyl-2-oxopiperidin-4-yl]thiophen-2-yl]benzonitrile
CID 159748459
(4R)-1-[(1-acetylpyrrolidin-3-yl)methyl]-2-amino-4-(3-bromophenyl)-5,5-dimethyl-4H-pyrimidin-6-one;(5S,6S)-2-amino-6-(2-bromo-4-pyridinyl)-3,6-dimethyl-5-(4-propan-2-ylphenyl)-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-(2-bromo-4-pyridinyl)-3,6-dimethyl-5-(4-propan-2-ylphenyl)-5H-pyrimidin-4-one;5-[(4S)-2-amino-5-[4-(1,1-difluoroethyl)phenyl]-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-2-fluorobenzonitrile;5-[(4S,5R)-2-amino-5-[4-(1,1-difluoroethyl)phenyl]-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-2-fluorobenzonitrile;5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-1-benzothiophene-3-carbonitrile
CID 161704004
3-[5-[(4S)-2-amino-5-(4-tert-butylphenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]-5-chlorobenzonitrile;(5S,6S)-2-amino-6-(2,4-difluorophenyl)-3,6-dimethyl-5-[4-(trifluoromethyl)phenyl]-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-(3-methyl-4-pyridin-3-ylthiophen-2-yl)-5H-pyrimidin-4-one;3-[5-[(4S)-2-amino-1-ethyl-4-methyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;2-amino-3-[(4-methylphenyl)methyl]-5,5-diphenylimidazol-4-one
CID 161805389
(6S)-2-amino-6-(1-benzothiophen-5-yl)-3-[2-(dimethylamino)ethyl]-6-methyl-5H-pyrimidin-4-one;2-amino-6-[5-(3-chlorophenyl)thiophen-2-yl]-6-cyclopropyl-3-methyl-5H-pyrimidin-4-one;4-[(4S,5R)-2-amino-5-(4-cyclopropylphenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]benzonitrile;(5R,6S)-2-amino-5-(4-cyclopropylphenyl)-6-[4-(2-fluoro-3-pyridinyl)-2-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one;5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophene-3-carbonitrile;2-amino-3-[2-(1-methylpyrrolidin-2-yl)ethyl]-5,5-diphenylimidazol-4-one
CID 158780629
2-Amino-5-(4-bromothiophen-2-yl)-5-cyclopropyl-3-methylimidazol-4-one;2-amino-5-[5-(3-chlorophenyl)thiophen-2-yl]-3-methyl-5-phenylimidazol-4-one;1-[[4-[(2-amino-4,4-dimethyl-5-oxoimidazol-1-yl)methyl]phenyl]methyl]-3-(3,5-difluorophenyl)urea;3-[5-(2-amino-1,4-dimethyl-5-oxoimidazol-4-yl)-3-pyridinyl]benzonitrile;2-amino-3-[(4-methylphenyl)methyl]-5,5-diphenylimidazol-4-one
CID 160152313
3-[5-[(4S)-2-amino-5-(4-bromophenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;2-amino-5-[3-(3-chlorophenyl)phenyl]-3-methyl-5-pyridin-4-ylimidazol-4-one;3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-2-chlorothiophen-3-yl]benzonitrile;1-[4-[(4S,5S)-2-amino-4-(3-fluorophenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-5-yl]phenyl]cyclopropane-1-carbonitrile;1-[4-[(4S,5R)-2-amino-4-(3-fluorophenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-5-yl]phenyl]cyclopropane-1-carbonitrile
CID 161238537
N-[2-[(4S)-2-amino-4-(1-benzothiophen-5-yl)-4-methyl-6-oxo-5H-pyrimidin-1-yl]ethyl]acetamide;(5S,6S)-2-amino-6-(4-bromothiophen-2-yl)-3,5,6-trimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-(4-bromothiophen-2-yl)-3,5,6-trimethyl-5H-pyrimidin-4-one;5-[3-[(4S,5S)-2-amino-5-(4-tert-butylphenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]phenyl]pyridine-3-carbonitrile;5-[3-[(4S,5R)-2-amino-5-(4-tert-butylphenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]phenyl]pyridine-3-carbonitrile;(6S)-2-amino-6-[2-(3-chloro-4-fluorophenyl)-4-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one;N-[3-[4-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-2-pyridinyl]phenyl]acetamide
CID 162234239

Frequently Asked Questions

What is the IUPAC name of (6S)-2-amino-6-(1-benzothiophen-5-yl)-6-methyl-3-(pyridin-2-ylmethyl)-5H-pyrimidin-4-one;(6R)-2-amino-6-(4-bromothiophen-2-yl)-6-cyclopropyl-3-methyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-(3-chloro-4-methylthiophen-2-yl)-5-[4-(1,1-difluoroethyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one;3-[(4S,5S)-2-amino-5-[4-(1-cyanocyclobutyl)phenyl]-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]benzonitrile;3-[(4S,5R)-2-amino-5-[4-(1-cyanocyclobutyl)phenyl]-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]benzonitrile;2-amino-3-[(2,4-difluorophenyl)methyl]-5,5-diphenylimidazol-4-one;3-[5-[(4S,5R)-2-amino-1,5-dimethyl-6-oxo-4,5-dihydropyrimidin-4-yl]-2-methylthiophen-3-yl]benzonitrile?
The IUPAC name of (6S)-2-amino-6-(1-benzothiophen-5-yl)-6-methyl-3-(pyridin-2-ylmethyl)-5H-pyrimidin-4-one;(6R)-2-amino-6-(4-bromothiophen-2-yl)-6-cyclopropyl-3-methyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-(3-chloro-4-methylthiophen-2-yl)-5-[4-(1,1-difluoroethyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one;3-[(4S,5S)-2-amino-5-[4-(1-cyanocyclobutyl)phenyl]-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]benzonitrile;3-[(4S,5R)-2-amino-5-[4-(1-cyanocyclobutyl)phenyl]-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]benzonitrile;2-amino-3-[(2,4-difluorophenyl)methyl]-5,5-diphenylimidazol-4-one;3-[5-[(4S,5R)-2-amino-1,5-dimethyl-6-oxo-4,5-dihydropyrimidin-4-yl]-2-methylthiophen-3-yl]benzonitrile (CID 159145636) is (6S)-2-amino-6-(1-benzothiophen-5-yl)-6-methyl-3-(pyridin-2-ylmethyl)-5H-pyrimidin-4-one;(6R)-2-amino-6-(4-bromothiophen-2-yl)-6-cyclopropyl-3-methyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-(3-chloro-4-methylthiophen-2-yl)-5-[4-(1,1-difluoroethyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one;3-[(4S,5S)-2-amino-5-[4-(1-cyanocyclobutyl)phenyl]-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]benzonitrile;3-[(4S,5R)-2-amino-5-[4-(1-cyanocyclobutyl)phenyl]-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]benzonitrile;2-amino-3-[(2,4-difluorophenyl)methyl]-5,5-diphenylimidazol-4-one;3-[5-[(4S,5R)-2-amino-1,5-dimethyl-6-oxo-4,5-dihydropyrimidin-4-yl]-2-methylthiophen-3-yl]benzonitrile.
What is the SMILES notation for (6S)-2-amino-6-(1-benzothiophen-5-yl)-6-methyl-3-(pyridin-2-ylmethyl)-5H-pyrimidin-4-one;(6R)-2-amino-6-(4-bromothiophen-2-yl)-6-cyclopropyl-3-methyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-(3-chloro-4-methylthiophen-2-yl)-5-[4-(1,1-difluoroethyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one;3-[(4S,5S)-2-amino-5-[4-(1-cyanocyclobutyl)phenyl]-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]benzonitrile;3-[(4S,5R)-2-amino-5-[4-(1-cyanocyclobutyl)phenyl]-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]benzonitrile;2-amino-3-[(2,4-difluorophenyl)methyl]-5,5-diphenylimidazol-4-one;3-[5-[(4S,5R)-2-amino-1,5-dimethyl-6-oxo-4,5-dihydropyrimidin-4-yl]-2-methylthiophen-3-yl]benzonitrile?
The canonical SMILES for (6S)-2-amino-6-(1-benzothiophen-5-yl)-6-methyl-3-(pyridin-2-ylmethyl)-5H-pyrimidin-4-one;(6R)-2-amino-6-(4-bromothiophen-2-yl)-6-cyclopropyl-3-methyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-(3-chloro-4-methylthiophen-2-yl)-5-[4-(1,1-difluoroethyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one;3-[(4S,5S)-2-amino-5-[4-(1-cyanocyclobutyl)phenyl]-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]benzonitrile;3-[(4S,5R)-2-amino-5-[4-(1-cyanocyclobutyl)phenyl]-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]benzonitrile;2-amino-3-[(2,4-difluorophenyl)methyl]-5,5-diphenylimidazol-4-one;3-[5-[(4S,5R)-2-amino-1,5-dimethyl-6-oxo-4,5-dihydropyrimidin-4-yl]-2-methylthiophen-3-yl]benzonitrile is CN1C(=O)C[C@](c2cc(Br)cs2)(C2CC2)N=C1N.CN1C(=O)[C@@H](c2ccc(C3(C#N)CCC3)cc2)[C@@](C)(c2cccc(C#N)c2)N=C1N.CN1C(=O)[C@H](c2ccc(C3(C#N)CCC3)cc2)[C@@](C)(c2cccc(C#N)c2)N=C1N.C[C@@]1(c2ccc3sccc3c2)CC(=O)N(Cc2ccccn2)C(N)=N1.Cc1csc([C@@]2(C)N=C(N)N(C)C(=O)[C@@H]2c2ccc(C(C)(F)F)cc2)c1Cl.Cc1sc([C@H]2N=C(N)N(C)C(=O)[C@@H]2C)cc1-c1cccc(C#N)c1.NC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1Cc1ccc(F)cc1F.
What is the InChIKey of (6S)-2-amino-6-(1-benzothiophen-5-yl)-6-methyl-3-(pyridin-2-ylmethyl)-5H-pyrimidin-4-one;(6R)-2-amino-6-(4-bromothiophen-2-yl)-6-cyclopropyl-3-methyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-(3-chloro-4-methylthiophen-2-yl)-5-[4-(1,1-difluoroethyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one;3-[(4S,5S)-2-amino-5-[4-(1-cyanocyclobutyl)phenyl]-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]benzonitrile;3-[(4S,5R)-2-amino-5-[4-(1-cyanocyclobutyl)phenyl]-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]benzonitrile;2-amino-3-[(2,4-difluorophenyl)methyl]-5,5-diphenylimidazol-4-one;3-[5-[(4S,5R)-2-amino-1,5-dimethyl-6-oxo-4,5-dihydropyrimidin-4-yl]-2-methylthiophen-3-yl]benzonitrile?
The InChIKey is KIQJNKHYOWCYAM-FVKHDWLZSA-N. The full InChI is InChI=1S/2C24H23N5O.C22H17F2N3O.C19H20ClF2N3OS.C19H18N4OS.C18H18N4OS.C12H14BrN3OS/c2*1-23(19-6-3-5-16(13-19)14-25)20(21(30)29(2)22(27)28-23)17-7-9-18(10-8-17)24(15-26)11-4-12-24;23-18-12-11-15(19(24)13-18)14-27-20(28)22(26-21(27)25,16-7-3-1-4-8-16)17-9-5-2-6-10-17;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;1-19(14-5-6-16-13(10-14)7-9-25-16)11-17(24)23(18(20)22-19)12-15-4-2-3-8-21-15;1-10-16(21-18(20)22(3)17(10)23)15-8-14(11(2)24-15)13-6-4-5-12(7-13)9-19;1-16-10(17)5-12(7-2-3-7,15-11(16)14)9-4-8(13)6-18-9/h2*3,5-10,13,20H,4,11-12H2,1-2H3,(H2,27,28);1-13H,14H2,(H2,25,26);5-9,13H,1-4H3,(H2,23,24);2-10H,11-12H2,1H3,(H2,20,22);4-8,10,16H,1-3H3,(H2,20,21);4,6-7H,2-3,5H2,1H3,(H2,14,15)/t20-,23+;20-,23-;;13-,18-;19-;10-,16+;12-/m01.0011/s1.
What are the key properties of (6S)-2-amino-6-(1-benzothiophen-5-yl)-6-methyl-3-(pyridin-2-ylmethyl)-5H-pyrimidin-4-one;(6R)-2-amino-6-(4-bromothiophen-2-yl)-6-cyclopropyl-3-methyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-(3-chloro-4-methylthiophen-2-yl)-5-[4-(1,1-difluoroethyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one;3-[(4S,5S)-2-amino-5-[4-(1-cyanocyclobutyl)phenyl]-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]benzonitrile;3-[(4S,5R)-2-amino-5-[4-(1-cyanocyclobutyl)phenyl]-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]benzonitrile;2-amino-3-[(2,4-difluorophenyl)methyl]-5,5-diphenylimidazol-4-one;3-[5-[(4S,5R)-2-amino-1,5-dimethyl-6-oxo-4,5-dihydropyrimidin-4-yl]-2-methylthiophen-3-yl]benzonitrile?
(6S)-2-amino-6-(1-benzothiophen-5-yl)-6-methyl-3-(pyridin-2-ylmethyl)-5H-pyrimidin-4-one;(6R)-2-amino-6-(4-bromothiophen-2-yl)-6-cyclopropyl-3-methyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-(3-chloro-4-methylthiophen-2-yl)-5-[4-(1,1-difluoroethyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one;3-[(4S,5S)-2-amino-5-[4-(1-cyanocyclobutyl)phenyl]-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]benzonitrile;3-[(4S,5R)-2-amino-5-[4-(1-cyanocyclobutyl)phenyl]-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]benzonitrile;2-amino-3-[(2,4-difluorophenyl)methyl]-5,5-diphenylimidazol-4-one;3-[5-[(4S,5R)-2-amino-1,5-dimethyl-6-oxo-4,5-dihydropyrimidin-4-yl]-2-methylthiophen-3-yl]benzonitrile has a molecular weight of 2601.38 g/mol, XLogP of 23.36, 20 rotatable bonds, 7 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-2-amino-6-(1-benzothiophen-5-yl)-6-methyl-3-(pyridin-2-ylmethyl)-5H-pyrimidin-4-one;(6R)-2-amino-6-(4-bromothiophen-2-yl)-6-cyclopropyl-3-methyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-(3-chloro-4-methylthiophen-2-yl)-5-[4-(1,1-difluoroethyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one;3-[(4S,5S)-2-amino-5-[4-(1-cyanocyclobutyl)phenyl]-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]benzonitrile;3-[(4S,5R)-2-amino-5-[4-(1-cyanocyclobutyl)phenyl]-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]benzonitrile;2-amino-3-[(2,4-difluorophenyl)methyl]-5,5-diphenylimidazol-4-one;3-[5-[(4S,5R)-2-amino-1,5-dimethyl-6-oxo-4,5-dihydropyrimidin-4-yl]-2-methylthiophen-3-yl]benzonitrile is sourced from PubChem (CID 159145636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).