4-[(4S,5S)-2-amino-4-(3-cyanophenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-5-yl]-2-fluorobenzonitrile;4-[(4S,5R)-2-amino-4-(3-cyanophenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-5-yl]-2-fluorobenzonitrile;(6S)-2-amino-5-(4-cyclopropylphenyl)-6-[4-(2-methoxypyrimidin-5-yl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-[1-(4-methylsulfonylphenyl)sulfonylpiperidin-3-yl]-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-(7-pyridin-4-yl-1-benzothiophen-5-yl)-5H-pyrimidin-4-one;N-[4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]-3-fluorobenzenesulfonamide

C129H124F3N27O13S5 — CID 159904998

IUPAC4-[(4S,5S)-2-amino-4-(3-cyanophenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-5-yl]-2-fluorobenzonitrile;4-[(4S,5R)-2-amino-4-(3-cyanophenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-5-yl]-2-fluorobenzonitrile;(6S)-2-amino-5-(4-cyclopropylphenyl)-6-[4-(2-methoxypyrimidin-5-yl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-[1-(4-methylsulfonylphenyl)sulfonylpiperidin-3-yl]-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-(7-pyridin-4-yl-1-benzothiophen-5-yl)-5H-pyrimidin-4-one;N-[4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]-3-fluorobenzenesulfonamide
SMILESCN1C(=O)C[C@@](C)(C2CCCN(S(=O)(=O)c3ccc(S(C)(=O)=O)cc3)C2)N=C1N.CN1C(=O)C[C@@](C)(c2cc(-c3ccncc3)c3sccc3c2)N=C1N.CN1C(=O)[C@@H](c2ccc(C#N)c(F)c2)[C@@](C)(c2cccc(C#N)c2)N=C1N.CN1C(=O)[C@H](c2ccc(C#N)c(F)c2)[C@@](C)(c2cccc(C#N)c2)N=C1N.COc1ncc(-c2csc([C@@]3(C)N=C(N)N(C)C(=O)C3c3ccc(C4CC4)cc3)c2)cn1.NC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1Cc1ccc(NS(=O)(=O)c2cccc(F)c2)cc1
InChIInChI=1S/C28H23FN4O3S.C24H25N5O2S.2C20H16FN5O.C19H18N4OS.C18H26N4O5S2/c29-23-12-7-13-25(18-23)37(35,36)32-24-16-14-20(15-17-24)19-33-26(34)28(31-27(33)30,21-8-3-1-4-9-21)22-10-5-2-6-11-22;1-24(19-10-17(13-32-19)18-11-26-23(31-3)27-12-18)20(21(30)29(2)22(25)28-24)16-8-6-15(7-9-16)14-4-5-14;2*1-20(15-5-3-4-12(8-15)10-22)17(18(27)26(2)19(24)25-20)13-6-7-14(11-23)16(21)9-13;1-19(11-16(24)23(2)18(20)22-19)14-9-13-5-8-25-17(13)15(10-14)12-3-6-21-7-4-12;1-18(11-16(23)21(2)17(19)20-18)13-5-4-10-22(12-13)29(26,27)15-8-6-14(7-9-15)28(3,24)25/h1-18,32H,19H2,(H2,30,31);6-14,20H,4-5H2,1-3H3,(H2,25,28);2*3-9,17H,1-2H3,(H2,24,25);3-10H,11H2,1-2H3,(H2,20,22);6-9,13H,4-5,10-12H2,1-3H3,(H2,19,20)/t;20?,24-;17-,20+;17-,20-;19-;13?,18-/m.10100/s1
InChIKeyNWLMAPGMPZZLCO-RBXCJDGOSA-N
MW2477.92 g/mol
LogP16.60
Rot. Bonds22

About 4-[(4S,5S)-2-amino-4-(3-cyanophenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-5-yl]-2-fluorobenzonitrile;4-[(4S,5R)-2-amino-4-(3-cyanophenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-5-yl]-2-fluorobenzonitrile;(6S)-2-amino-5-(4-cyclopropylphenyl)-6-[4-(2-methoxypyrimidin-5-yl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-[1-(4-methylsulfonylphenyl)sulfonylpiperidin-3-yl]-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-(7-pyridin-4-yl-1-benzothiophen-5-yl)-5H-pyrimidin-4-one;N-[4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]-3-fluorobenzenesulfonamide

4-[(4S,5S)-2-amino-4-(3-cyanophenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-5-yl]-2-fluorobenzonitrile;4-[(4S,5R)-2-amino-4-(3-cyanophenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-5-yl]-2-fluorobenzonitrile;(6S)-2-amino-5-(4-cyclopropylphenyl)-6-[4-(2-methoxypyrimidin-5-yl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-[1-(4-methylsulfonylphenyl)sulfonylpiperidin-3-yl]-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-(7-pyridin-4-yl-1-benzothiophen-5-yl)-5H-pyrimidin-4-one;N-[4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]-3-fluorobenzenesulfonamide (PubChem CID 159904998) has the molecular formula C129H124F3N27O13S5 and a molecular weight of 2477.92 g/mol. Its IUPAC name is 4-[(4S,5S)-2-amino-4-(3-cyanophenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-5-yl]-2-fluorobenzonitrile;4-[(4S,5R)-2-amino-4-(3-cyanophenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-5-yl]-2-fluorobenzonitrile;(6S)-2-amino-5-(4-cyclopropylphenyl)-6-[4-(2-methoxypyrimidin-5-yl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-[1-(4-methylsulfonylphenyl)sulfonylpiperidin-3-yl]-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-(7-pyridin-4-yl-1-benzothiophen-5-yl)-5H-pyrimidin-4-one;N-[4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]-3-fluorobenzenesulfonamide.

Molecular Properties

Compound Name4-[(4S,5S)-2-amino-4-(3-cyanophenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-5-yl]-2-fluorobenzonitrile;4-[(4S,5R)-2-amino-4-(3-cyanophenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-5-yl]-2-fluorobenzonitrile;(6S)-2-amino-5-(4-cyclopropylphenyl)-6-[4-(2-methoxypyrimidin-5-yl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-[1-(4-methylsulfonylphenyl)sulfonylpiperidin-3-yl]-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-(7-pyridin-4-yl-1-benzothiophen-5-yl)-5H-pyrimidin-4-one;N-[4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]-3-fluorobenzenesulfonamide
PubChem CID159904998
Molecular FormulaC129H124F3N27O13S5
Molecular Weight2477.92 g/mol
Exact Mass2475.84
IUPAC Name4-[(4S,5S)-2-amino-4-(3-cyanophenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-5-yl]-2-fluorobenzonitrile;4-[(4S,5R)-2-amino-4-(3-cyanophenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-5-yl]-2-fluorobenzonitrile;(6S)-2-amino-5-(4-cyclopropylphenyl)-6-[4-(2-methoxypyrimidin-5-yl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-[1-(4-methylsulfonylphenyl)sulfonylpiperidin-3-yl]-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-(7-pyridin-4-yl-1-benzothiophen-5-yl)-5H-pyrimidin-4-one;N-[4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]-3-fluorobenzenesulfonamide
SMILESCN1C(=O)C[C@@](C)(C2CCCN(S(=O)(=O)c3ccc(S(C)(=O)=O)cc3)C2)N=C1N.CN1C(=O)C[C@@](C)(c2cc(-c3ccncc3)c3sccc3c2)N=C1N.CN1C(=O)[C@@H](c2ccc(C#N)c(F)c2)[C@@](C)(c2cccc(C#N)c2)N=C1N.CN1C(=O)[C@H](c2ccc(C#N)c(F)c2)[C@@](C)(c2cccc(C#N)c2)N=C1N.COc1ncc(-c2csc([C@@]3(C)N=C(N)N(C)C(=O)C3c3ccc(C4CC4)cc3)c2)cn1.NC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1Cc1ccc(NS(=O)(=O)c2cccc(F)c2)cc1
InChIInChI=1S/C28H23FN4O3S.C24H25N5O2S.2C20H16FN5O.C19H18N4OS.C18H26N4O5S2/c29-23-12-7-13-25(18-23)37(35,36)32-24-16-14-20(15-17-24)19-33-26(34)28(31-27(33)30,21-8-3-1-4-9-21)22-10-5-2-6-11-22;1-24(19-10-17(13-32-19)18-11-26-23(31-3)27-12-18)20(21(30)29(2)22(25)28-24)16-8-6-15(7-9-16)14-4-5-14;2*1-20(15-5-3-4-12(8-15)10-22)17(18(27)26(2)19(24)25-20)13-6-7-14(11-23)16(21)9-13;1-19(11-16(24)23(2)18(20)22-19)14-9-13-5-8-25-17(13)15(10-14)12-3-6-21-7-4-12;1-18(11-16(23)21(2)17(19)20-18)13-5-4-10-22(12-13)29(26,27)15-8-6-14(7-9-15)28(3,24)25/h1-18,32H,19H2,(H2,30,31);6-14,20H,4-5H2,1-3H3,(H2,25,28);2*3-9,17H,1-2H3,(H2,24,25);3-10H,11H2,1-2H3,(H2,20,22);6-9,13H,4-5,10-12H2,1-3H3,(H2,19,20)/t;20?,24-;17-,20+;17-,20-;19-;13?,18-/m.10100/s1
InChIKeyNWLMAPGMPZZLCO-RBXCJDGOSA-N
XLogP16.60
TPSA612.89 Ų
H-Bond Donors7
H-Bond Acceptors34
Rotatable Bonds22
Heavy Atoms177
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002477.92
LogP ≤ 516.60
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1034

Analyze 4-[(4S,5S)-2-amino-4-(3-cyanophenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-5-yl]-2-fluorobenzonitrile;4-[(4S,5R)-2-amino-4-(3-cyanophenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-5-yl]-2-fluorobenzonitrile;(6S)-2-amino-5-(4-cyclopropylphenyl)-6-[4-(2-methoxypyrimidin-5-yl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-[1-(4-methylsulfonylphenyl)sulfonylpiperidin-3-yl]-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-(7-pyridin-4-yl-1-benzothiophen-5-yl)-5H-pyrimidin-4-one;N-[4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]-3-fluorobenzenesulfonamide with MolForge

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Related Compounds

(5S,6S)-2-amino-5-cyclopropyl-3,6-dimethyl-6-(5-pyrimidin-5-ylthiophen-2-yl)-5H-pyrimidin-4-one;(5S,6S)-2-amino-5-[4-(1,1-difluoroethyl)phenyl]-6-(2,4-difluorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-[4-(1,1-difluoroethyl)phenyl]-6-(2,4-difluorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-(7-pyridin-3-yl-1-benzothiophen-5-yl)-5H-pyrimidin-4-one;2-amino-5,5-diphenyl-3-[(4-pyrrol-1-ylphenyl)methyl]imidazol-4-one;3-[5-[(4S)-2-amino-4-methyl-6-oxo-1,5-dihydropyrimidin-4-yl]thiophen-3-yl]benzonitrile
CID 158112226
2-[(4S,5S)-2-amino-5-(4-cyclopropylphenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-1-benzothiophene-7-carbonitrile;(5R,6S)-2-amino-5-(4-cyclopropylphenyl)-6-[4-(5-fluoro-3-pyridinyl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;N-[4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]butane-1-sulfonamide;benzyl 4-[(4S)-2-amino-4-(2,4-difluorophenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-5-yl]piperidine-1-carboxylate
CID 159360173
5-[5-[(4R)-2-amino-4-cyclopropyl-1-methyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]-2-fluorobenzonitrile;2-amino-3-[[3-(1,1-dioxothiazinan-2-yl)phenyl]methyl]-5-methyl-5-(3-pyridin-3-ylphenyl)imidazol-4-one;2-amino-5,5-diphenyl-3-[(3-phenylphenyl)methyl]imidazol-4-one;N-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]-2-fluorobenzenesulfonamide
CID 159860857
(5S,6S)-2-amino-5-benzyl-3,6-dimethyl-6-(3-pyridin-3-ylphenyl)-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-benzyl-3,6-dimethyl-6-(3-pyridin-3-ylphenyl)-5H-pyrimidin-4-one;5-[5-[(4R)-2-amino-4-cyclopropyl-1-methyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]-2-fluorobenzonitrile;2-amino-5,5-diphenyl-3-[(3-phenylphenyl)methyl]imidazol-4-one;N-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]-2-fluorobenzenesulfonamide
CID 160005464
3-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]benzonitrile;(5S,6S)-2-amino-3,6-dimethyl-5-(4-propan-2-ylphenyl)-6-thiophen-2-yl-5H-pyrimidin-4-one;(5R,6S)-2-amino-3,6-dimethyl-5-(4-propan-2-ylphenyl)-6-thiophen-2-yl-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-(1-thiophen-2-ylsulfonylpiperidin-3-yl)-5H-pyrimidin-4-one;(6S)-2-amino-6-(4-ethyl-5-iodothiophen-2-yl)-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-ethyl-3-methyl-6-(4-pyrimidin-5-ylthiophen-2-yl)-5H-pyrimidin-4-one;N-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]acetamide
CID 160998115

Frequently Asked Questions

What is the IUPAC name of 4-[(4S,5S)-2-amino-4-(3-cyanophenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-5-yl]-2-fluorobenzonitrile;4-[(4S,5R)-2-amino-4-(3-cyanophenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-5-yl]-2-fluorobenzonitrile;(6S)-2-amino-5-(4-cyclopropylphenyl)-6-[4-(2-methoxypyrimidin-5-yl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-[1-(4-methylsulfonylphenyl)sulfonylpiperidin-3-yl]-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-(7-pyridin-4-yl-1-benzothiophen-5-yl)-5H-pyrimidin-4-one;N-[4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]-3-fluorobenzenesulfonamide?
The IUPAC name of 4-[(4S,5S)-2-amino-4-(3-cyanophenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-5-yl]-2-fluorobenzonitrile;4-[(4S,5R)-2-amino-4-(3-cyanophenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-5-yl]-2-fluorobenzonitrile;(6S)-2-amino-5-(4-cyclopropylphenyl)-6-[4-(2-methoxypyrimidin-5-yl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-[1-(4-methylsulfonylphenyl)sulfonylpiperidin-3-yl]-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-(7-pyridin-4-yl-1-benzothiophen-5-yl)-5H-pyrimidin-4-one;N-[4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]-3-fluorobenzenesulfonamide (CID 159904998) is 4-[(4S,5S)-2-amino-4-(3-cyanophenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-5-yl]-2-fluorobenzonitrile;4-[(4S,5R)-2-amino-4-(3-cyanophenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-5-yl]-2-fluorobenzonitrile;(6S)-2-amino-5-(4-cyclopropylphenyl)-6-[4-(2-methoxypyrimidin-5-yl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-[1-(4-methylsulfonylphenyl)sulfonylpiperidin-3-yl]-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-(7-pyridin-4-yl-1-benzothiophen-5-yl)-5H-pyrimidin-4-one;N-[4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]-3-fluorobenzenesulfonamide.
What is the SMILES notation for 4-[(4S,5S)-2-amino-4-(3-cyanophenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-5-yl]-2-fluorobenzonitrile;4-[(4S,5R)-2-amino-4-(3-cyanophenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-5-yl]-2-fluorobenzonitrile;(6S)-2-amino-5-(4-cyclopropylphenyl)-6-[4-(2-methoxypyrimidin-5-yl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-[1-(4-methylsulfonylphenyl)sulfonylpiperidin-3-yl]-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-(7-pyridin-4-yl-1-benzothiophen-5-yl)-5H-pyrimidin-4-one;N-[4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]-3-fluorobenzenesulfonamide?
The canonical SMILES for 4-[(4S,5S)-2-amino-4-(3-cyanophenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-5-yl]-2-fluorobenzonitrile;4-[(4S,5R)-2-amino-4-(3-cyanophenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-5-yl]-2-fluorobenzonitrile;(6S)-2-amino-5-(4-cyclopropylphenyl)-6-[4-(2-methoxypyrimidin-5-yl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-[1-(4-methylsulfonylphenyl)sulfonylpiperidin-3-yl]-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-(7-pyridin-4-yl-1-benzothiophen-5-yl)-5H-pyrimidin-4-one;N-[4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]-3-fluorobenzenesulfonamide is CN1C(=O)C[C@@](C)(C2CCCN(S(=O)(=O)c3ccc(S(C)(=O)=O)cc3)C2)N=C1N.CN1C(=O)C[C@@](C)(c2cc(-c3ccncc3)c3sccc3c2)N=C1N.CN1C(=O)[C@@H](c2ccc(C#N)c(F)c2)[C@@](C)(c2cccc(C#N)c2)N=C1N.CN1C(=O)[C@H](c2ccc(C#N)c(F)c2)[C@@](C)(c2cccc(C#N)c2)N=C1N.COc1ncc(-c2csc([C@@]3(C)N=C(N)N(C)C(=O)C3c3ccc(C4CC4)cc3)c2)cn1.NC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1Cc1ccc(NS(=O)(=O)c2cccc(F)c2)cc1.
What is the InChIKey of 4-[(4S,5S)-2-amino-4-(3-cyanophenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-5-yl]-2-fluorobenzonitrile;4-[(4S,5R)-2-amino-4-(3-cyanophenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-5-yl]-2-fluorobenzonitrile;(6S)-2-amino-5-(4-cyclopropylphenyl)-6-[4-(2-methoxypyrimidin-5-yl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-[1-(4-methylsulfonylphenyl)sulfonylpiperidin-3-yl]-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-(7-pyridin-4-yl-1-benzothiophen-5-yl)-5H-pyrimidin-4-one;N-[4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]-3-fluorobenzenesulfonamide?
The InChIKey is NWLMAPGMPZZLCO-RBXCJDGOSA-N. The full InChI is InChI=1S/C28H23FN4O3S.C24H25N5O2S.2C20H16FN5O.C19H18N4OS.C18H26N4O5S2/c29-23-12-7-13-25(18-23)37(35,36)32-24-16-14-20(15-17-24)19-33-26(34)28(31-27(33)30,21-8-3-1-4-9-21)22-10-5-2-6-11-22;1-24(19-10-17(13-32-19)18-11-26-23(31-3)27-12-18)20(21(30)29(2)22(25)28-24)16-8-6-15(7-9-16)14-4-5-14;2*1-20(15-5-3-4-12(8-15)10-22)17(18(27)26(2)19(24)25-20)13-6-7-14(11-23)16(21)9-13;1-19(11-16(24)23(2)18(20)22-19)14-9-13-5-8-25-17(13)15(10-14)12-3-6-21-7-4-12;1-18(11-16(23)21(2)17(19)20-18)13-5-4-10-22(12-13)29(26,27)15-8-6-14(7-9-15)28(3,24)25/h1-18,32H,19H2,(H2,30,31);6-14,20H,4-5H2,1-3H3,(H2,25,28);2*3-9,17H,1-2H3,(H2,24,25);3-10H,11H2,1-2H3,(H2,20,22);6-9,13H,4-5,10-12H2,1-3H3,(H2,19,20)/t;20?,24-;17-,20+;17-,20-;19-;13?,18-/m.10100/s1.
What are the key properties of 4-[(4S,5S)-2-amino-4-(3-cyanophenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-5-yl]-2-fluorobenzonitrile;4-[(4S,5R)-2-amino-4-(3-cyanophenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-5-yl]-2-fluorobenzonitrile;(6S)-2-amino-5-(4-cyclopropylphenyl)-6-[4-(2-methoxypyrimidin-5-yl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-[1-(4-methylsulfonylphenyl)sulfonylpiperidin-3-yl]-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-(7-pyridin-4-yl-1-benzothiophen-5-yl)-5H-pyrimidin-4-one;N-[4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]-3-fluorobenzenesulfonamide?
4-[(4S,5S)-2-amino-4-(3-cyanophenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-5-yl]-2-fluorobenzonitrile;4-[(4S,5R)-2-amino-4-(3-cyanophenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-5-yl]-2-fluorobenzonitrile;(6S)-2-amino-5-(4-cyclopropylphenyl)-6-[4-(2-methoxypyrimidin-5-yl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-[1-(4-methylsulfonylphenyl)sulfonylpiperidin-3-yl]-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-(7-pyridin-4-yl-1-benzothiophen-5-yl)-5H-pyrimidin-4-one;N-[4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]-3-fluorobenzenesulfonamide has a molecular weight of 2477.92 g/mol, XLogP of 16.60, 22 rotatable bonds, 7 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4S,5S)-2-amino-4-(3-cyanophenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-5-yl]-2-fluorobenzonitrile;4-[(4S,5R)-2-amino-4-(3-cyanophenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-5-yl]-2-fluorobenzonitrile;(6S)-2-amino-5-(4-cyclopropylphenyl)-6-[4-(2-methoxypyrimidin-5-yl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-[1-(4-methylsulfonylphenyl)sulfonylpiperidin-3-yl]-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-(7-pyridin-4-yl-1-benzothiophen-5-yl)-5H-pyrimidin-4-one;N-[4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]-3-fluorobenzenesulfonamide is sourced from PubChem (CID 159904998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).