(5R,6S)-2-amino-6-[4-bromo-5-(hydroxymethyl)thiophen-2-yl]-5-(4-cyclopropylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-[6-(3-chlorophenyl)pyrazin-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-(7-pyridin-4-yl-1-benzothiophen-2-yl)-5H-pyrimidin-4-one;2-amino-3-[(1-methylimidazol-2-yl)methyl]-5,5-diphenylimidazol-4-one;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-cyclobutylbenzamide

C102H101BrClN21O7S2 — CID 159124578

IUPAC(5R,6S)-2-amino-6-[4-bromo-5-(hydroxymethyl)thiophen-2-yl]-5-(4-cyclopropylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-[6-(3-chlorophenyl)pyrazin-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-(7-pyridin-4-yl-1-benzothiophen-2-yl)-5H-pyrimidin-4-one;2-amino-3-[(1-methylimidazol-2-yl)methyl]-5,5-diphenylimidazol-4-one;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-cyclobutylbenzamide
SMILESCN1C(=O)C[C@@](C)(c2cc3cccc(-c4ccncc4)c3s2)N=C1N.CN1C(=O)C[C@@](C)(c2cncc(-c3cccc(Cl)c3)n2)N=C1N.CN1C(=O)[C@H](c2ccc(C3CC3)cc2)[C@@](C)(c2cc(Br)c(CO)s2)N=C1N.Cn1ccnc1CN1C(=O)C(c2ccccc2)(c2ccccc2)N=C1N.NC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1Cc1cccc(C(=O)NC2CCC2)c1
InChIInChI=1S/C27H26N4O2.C20H22BrN3O2S.C20H19N5O.C19H18N4OS.C16H16ClN5O/c28-26-30-27(21-11-3-1-4-12-21,22-13-5-2-6-14-22)25(33)31(26)18-19-9-7-10-20(17-19)24(32)29-23-15-8-16-23;1-20(16-9-14(21)15(10-25)27-16)17(18(26)24(2)19(22)23-20)13-7-5-12(6-8-13)11-3-4-11;1-24-13-12-22-17(24)14-25-18(26)20(23-19(25)21,15-8-4-2-5-9-15)16-10-6-3-7-11-16;1-19(11-16(24)23(2)18(20)22-19)15-10-13-4-3-5-14(17(13)25-15)12-6-8-21-9-7-12;1-16(7-14(23)22(2)15(18)21-16)13-9-19-8-12(20-13)10-4-3-5-11(17)6-10/h1-7,9-14,17,23H,8,15-16,18H2,(H2,28,30)(H,29,32);5-9,11,17,25H,3-4,10H2,1-2H3,(H2,22,23);2-13H,14H2,1H3,(H2,21,23);3-10H,11H2,1-2H3,(H2,20,22);3-6,8-9H,7H2,1-2H3,(H2,18,21)/t;17-,20+;;19-;16-/m.0.00/s1
InChIKeyKGCVTUYXHFDQGZ-DZVCCQFHSA-N
MW1912.56 g/mol
LogP14.80
Rot. Bonds18

About (5R,6S)-2-amino-6-[4-bromo-5-(hydroxymethyl)thiophen-2-yl]-5-(4-cyclopropylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-[6-(3-chlorophenyl)pyrazin-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-(7-pyridin-4-yl-1-benzothiophen-2-yl)-5H-pyrimidin-4-one;2-amino-3-[(1-methylimidazol-2-yl)methyl]-5,5-diphenylimidazol-4-one;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-cyclobutylbenzamide

(5R,6S)-2-amino-6-[4-bromo-5-(hydroxymethyl)thiophen-2-yl]-5-(4-cyclopropylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-[6-(3-chlorophenyl)pyrazin-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-(7-pyridin-4-yl-1-benzothiophen-2-yl)-5H-pyrimidin-4-one;2-amino-3-[(1-methylimidazol-2-yl)methyl]-5,5-diphenylimidazol-4-one;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-cyclobutylbenzamide (PubChem CID 159124578) has the molecular formula C102H101BrClN21O7S2 and a molecular weight of 1912.56 g/mol. Its IUPAC name is (5R,6S)-2-amino-6-[4-bromo-5-(hydroxymethyl)thiophen-2-yl]-5-(4-cyclopropylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-[6-(3-chlorophenyl)pyrazin-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-(7-pyridin-4-yl-1-benzothiophen-2-yl)-5H-pyrimidin-4-one;2-amino-3-[(1-methylimidazol-2-yl)methyl]-5,5-diphenylimidazol-4-one;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-cyclobutylbenzamide.

Molecular Properties

Compound Name(5R,6S)-2-amino-6-[4-bromo-5-(hydroxymethyl)thiophen-2-yl]-5-(4-cyclopropylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-[6-(3-chlorophenyl)pyrazin-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-(7-pyridin-4-yl-1-benzothiophen-2-yl)-5H-pyrimidin-4-one;2-amino-3-[(1-methylimidazol-2-yl)methyl]-5,5-diphenylimidazol-4-one;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-cyclobutylbenzamide
PubChem CID159124578
Molecular FormulaC102H101BrClN21O7S2
Molecular Weight1912.56 g/mol
Exact Mass1909.65
IUPAC Name(5R,6S)-2-amino-6-[4-bromo-5-(hydroxymethyl)thiophen-2-yl]-5-(4-cyclopropylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-[6-(3-chlorophenyl)pyrazin-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-(7-pyridin-4-yl-1-benzothiophen-2-yl)-5H-pyrimidin-4-one;2-amino-3-[(1-methylimidazol-2-yl)methyl]-5,5-diphenylimidazol-4-one;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-cyclobutylbenzamide
SMILESCN1C(=O)C[C@@](C)(c2cc3cccc(-c4ccncc4)c3s2)N=C1N.CN1C(=O)C[C@@](C)(c2cncc(-c3cccc(Cl)c3)n2)N=C1N.CN1C(=O)[C@H](c2ccc(C3CC3)cc2)[C@@](C)(c2cc(Br)c(CO)s2)N=C1N.Cn1ccnc1CN1C(=O)C(c2ccccc2)(c2ccccc2)N=C1N.NC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1Cc1cccc(C(=O)NC2CCC2)c1
InChIInChI=1S/C27H26N4O2.C20H22BrN3O2S.C20H19N5O.C19H18N4OS.C16H16ClN5O/c28-26-30-27(21-11-3-1-4-12-21,22-13-5-2-6-14-22)25(33)31(26)18-19-9-7-10-20(17-19)24(32)29-23-15-8-16-23;1-20(16-9-14(21)15(10-25)27-16)17(18(26)24(2)19(22)23-20)13-7-5-12(6-8-13)11-3-4-11;1-24-13-12-22-17(24)14-25-18(26)20(23-19(25)21,15-8-4-2-5-9-15)16-10-6-3-7-11-16;1-19(11-16(24)23(2)18(20)22-19)15-10-13-4-3-5-14(17(13)25-15)12-6-8-21-9-7-12;1-16(7-14(23)22(2)15(18)21-16)13-9-19-8-12(20-13)10-4-3-5-11(17)6-10/h1-7,9-14,17,23H,8,15-16,18H2,(H2,28,30)(H,29,32);5-9,11,17,25H,3-4,10H2,1-2H3,(H2,22,23);2-13H,14H2,1H3,(H2,21,23);3-10H,11H2,1-2H3,(H2,20,22);3-6,8-9H,7H2,1-2H3,(H2,18,21)/t;17-,20+;;19-;16-/m.0.00/s1
InChIKeyKGCVTUYXHFDQGZ-DZVCCQFHSA-N
XLogP14.80
TPSA399.27 Ų
H-Bond Donors7
H-Bond Acceptors24
Rotatable Bonds18
Heavy Atoms134
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001912.56
LogP ≤ 514.80
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1024

Analyze (5R,6S)-2-amino-6-[4-bromo-5-(hydroxymethyl)thiophen-2-yl]-5-(4-cyclopropylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-[6-(3-chlorophenyl)pyrazin-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-(7-pyridin-4-yl-1-benzothiophen-2-yl)-5H-pyrimidin-4-one;2-amino-3-[(1-methylimidazol-2-yl)methyl]-5,5-diphenylimidazol-4-one;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-cyclobutylbenzamide with MolForge

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Related Compounds

(5S,6S)-2-amino-5-(4-tert-butylphenyl)-3,6-dimethyl-6-phenyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-(4-tert-butylphenyl)-3,6-dimethyl-6-phenyl-5H-pyrimidin-4-one;(5S,6S)-2-amino-5-(4-cyclopropylphenyl)-6-[4-(2-fluoro-3-pyridinyl)-2-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-[4-(3-methyl-5-propoxyphenyl)thiophen-2-yl]-5H-pyrimidin-4-one;N-[4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]cyclopentanecarboxamide
CID 157060290
(6S)-2-amino-6-(5-bromothiophen-2-yl)-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-[3-(cyclopropylmethoxy)-1-benzothiophen-5-yl]-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-5-(4-cyclopropylphenyl)-6-(2-cyclopropyl-4-pyridinyl)-3,6-dimethyl-5H-pyrimidin-4-one;3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-3-nitrothiophen-2-yl]benzonitrile;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N,N-dimethylbenzamide;N-[4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]propane-2-sulfonamide
CID 162053623
2-amino-5-[3-(3-chlorophenyl)phenyl]-3-methyl-5-(1,3-thiazol-2-yl)imidazol-4-one;3-[5-[(4S)-2-amino-5-(4-cyclobutylphenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;(5S,6S)-2-amino-5-[4-(1,1-difluoroethyl)phenyl]-6-(2,3-difluorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-[4-(1,1-difluoroethyl)phenyl]-6-(2,3-difluorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one;2-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-4-methyl-4H-thieno[2,3-c]chromene-8-carbonitrile;N-[3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)phenyl]pyridine-3-carboxamide
CID 161109964
(6S)-2-amino-6-(1-benzylsulfonylpiperidin-3-yl)-3,6-dimethyl-5H-pyrimidin-4-one;3-[5-[(4S,5R)-2-amino-5-cyclopropyl-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-2-yl]benzonitrile;(6S)-2-amino-3,6-dimethyl-6-[1-[(3-phenoxyphenyl)methyl]piperidin-3-yl]-5H-pyrimidin-4-one;(6S)-2-amino-6-[5-(5-methoxy-3-pyridinyl)-4-methylthiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-[(4-methoxyphenyl)methyl]benzamide
CID 157075373
(2R)-2-amino-N-[4-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)butyl]-3-phenylpropanamide;3-[5-[(4S,5S)-2-amino-5-(1,3-benzodioxol-5-yl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;3-[5-[(4S,5R)-2-amino-5-(1,3-benzodioxol-5-yl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;1-[[2-[3-(2-amino-1,4-dimethyl-5-oxoimidazol-4-yl)phenyl]phenyl]methyl]-3-phenylurea;5-[4-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-2-pyridinyl]thiophene-2-carbonitrile
CID 157099029
2-amino-5-[3-(3-chlorophenyl)phenyl]-3-[[(3S)-1-(cyclohexylmethyl)pyrrolidin-3-yl]methyl]-5-methylimidazol-4-one;(6S)-2-amino-3,6-dimethyl-6-[1-(3-methylbutyl)piperidin-3-yl]-5H-pyrimidin-4-one;3-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-N-cyclohexylpiperidine-1-carboxamide;3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-3-ethylthiophen-2-yl]benzonitrile;5-[6-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]pyrazin-2-yl]thiophene-2-carbonitrile;3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5-[5-(trifluoromethyl)-2-pyridinyl]-5H-pyrimidin-4-yl]thiophen-2-yl]benzonitrile
CID 159965660
2-amino-6-[3-(1,3-benzodioxol-5-yl)phenyl]-3-methyl-6-phenyl-5H-pyrimidin-4-one;5-[5-[(4S)-2-amino-5-(1-benzofuran-6-yl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]pyridine-3-carbonitrile;3-[[2-amino-4-(3-bromophenyl)-4-methyl-5-oxoimidazol-1-yl]methyl]-N,N-dipropylbenzamide;(5R)-2-amino-5-[(3R)-1-(3-chlorophenyl)piperidin-3-yl]-3,5-dimethylimidazol-4-one;(6S)-2-amino-6-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-3,6-dimethyl-5H-pyrimidin-4-one
CID 158151039
3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-(1H-indol-4-yl)phenyl]-5-methylimidazol-4-one;2-amino-3-[(4-chlorophenyl)methyl]-5,5-diphenylimidazol-4-one;2-amino-3-methyl-5-phenyl-5-(4-pyridin-3-ylthiophen-2-yl)imidazol-4-one;N-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]cyclopropanesulfonamide;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(pyridin-2-ylmethyl)benzamide
CID 158563961
3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(2-methylpropyl)benzamide
CID 59387439
(5S,6S)-2-amino-5-(1,3-benzodioxol-5-yl)-6-(2-bromo-1,3-thiazol-5-yl)-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-(1,3-benzodioxol-5-yl)-6-(2-bromo-1,3-thiazol-5-yl)-3,6-dimethyl-5H-pyrimidin-4-one;2-amino-5-(3-bromophenyl)-5-cyclohexyl-3-methylimidazol-4-one;2-amino-5-[5-(3,5-dichlorophenyl)thiophen-2-yl]-3-methyl-5-phenylimidazol-4-one;5-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-1-methylpyrazol-3-yl]benzene-1,3-dicarbonitrile
CID 157258680
(6S)-2-amino-6-(2-benzylindazol-5-yl)-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-[5-(3-bromophenyl)-1,3-thiazol-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-[1-(cyclopropylmethyl)-3-(4-methylthiophen-2-yl)indazol-6-yl]-3,6-dimethyl-5H-pyrimidin-4-one;(5S,6S)-2-amino-6-(3-ethylphenyl)-3,6-dimethyl-5-[4-(trifluoromethyl)phenyl]-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-(3-ethylphenyl)-3,6-dimethyl-5-[4-(trifluoromethyl)phenyl]-5H-pyrimidin-4-one
CID 161252462
(5S,6S)-2-amino-6-(2-bromo-4-pyridinyl)-5-(4-cyclopropylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one
CID 89005062

Frequently Asked Questions

What is the IUPAC name of (5R,6S)-2-amino-6-[4-bromo-5-(hydroxymethyl)thiophen-2-yl]-5-(4-cyclopropylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-[6-(3-chlorophenyl)pyrazin-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-(7-pyridin-4-yl-1-benzothiophen-2-yl)-5H-pyrimidin-4-one;2-amino-3-[(1-methylimidazol-2-yl)methyl]-5,5-diphenylimidazol-4-one;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-cyclobutylbenzamide?
The IUPAC name of (5R,6S)-2-amino-6-[4-bromo-5-(hydroxymethyl)thiophen-2-yl]-5-(4-cyclopropylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-[6-(3-chlorophenyl)pyrazin-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-(7-pyridin-4-yl-1-benzothiophen-2-yl)-5H-pyrimidin-4-one;2-amino-3-[(1-methylimidazol-2-yl)methyl]-5,5-diphenylimidazol-4-one;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-cyclobutylbenzamide (CID 159124578) is (5R,6S)-2-amino-6-[4-bromo-5-(hydroxymethyl)thiophen-2-yl]-5-(4-cyclopropylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-[6-(3-chlorophenyl)pyrazin-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-(7-pyridin-4-yl-1-benzothiophen-2-yl)-5H-pyrimidin-4-one;2-amino-3-[(1-methylimidazol-2-yl)methyl]-5,5-diphenylimidazol-4-one;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-cyclobutylbenzamide.
What is the SMILES notation for (5R,6S)-2-amino-6-[4-bromo-5-(hydroxymethyl)thiophen-2-yl]-5-(4-cyclopropylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-[6-(3-chlorophenyl)pyrazin-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-(7-pyridin-4-yl-1-benzothiophen-2-yl)-5H-pyrimidin-4-one;2-amino-3-[(1-methylimidazol-2-yl)methyl]-5,5-diphenylimidazol-4-one;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-cyclobutylbenzamide?
The canonical SMILES for (5R,6S)-2-amino-6-[4-bromo-5-(hydroxymethyl)thiophen-2-yl]-5-(4-cyclopropylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-[6-(3-chlorophenyl)pyrazin-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-(7-pyridin-4-yl-1-benzothiophen-2-yl)-5H-pyrimidin-4-one;2-amino-3-[(1-methylimidazol-2-yl)methyl]-5,5-diphenylimidazol-4-one;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-cyclobutylbenzamide is CN1C(=O)C[C@@](C)(c2cc3cccc(-c4ccncc4)c3s2)N=C1N.CN1C(=O)C[C@@](C)(c2cncc(-c3cccc(Cl)c3)n2)N=C1N.CN1C(=O)[C@H](c2ccc(C3CC3)cc2)[C@@](C)(c2cc(Br)c(CO)s2)N=C1N.Cn1ccnc1CN1C(=O)C(c2ccccc2)(c2ccccc2)N=C1N.NC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1Cc1cccc(C(=O)NC2CCC2)c1.
What is the InChIKey of (5R,6S)-2-amino-6-[4-bromo-5-(hydroxymethyl)thiophen-2-yl]-5-(4-cyclopropylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-[6-(3-chlorophenyl)pyrazin-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-(7-pyridin-4-yl-1-benzothiophen-2-yl)-5H-pyrimidin-4-one;2-amino-3-[(1-methylimidazol-2-yl)methyl]-5,5-diphenylimidazol-4-one;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-cyclobutylbenzamide?
The InChIKey is KGCVTUYXHFDQGZ-DZVCCQFHSA-N. The full InChI is InChI=1S/C27H26N4O2.C20H22BrN3O2S.C20H19N5O.C19H18N4OS.C16H16ClN5O/c28-26-30-27(21-11-3-1-4-12-21,22-13-5-2-6-14-22)25(33)31(26)18-19-9-7-10-20(17-19)24(32)29-23-15-8-16-23;1-20(16-9-14(21)15(10-25)27-16)17(18(26)24(2)19(22)23-20)13-7-5-12(6-8-13)11-3-4-11;1-24-13-12-22-17(24)14-25-18(26)20(23-19(25)21,15-8-4-2-5-9-15)16-10-6-3-7-11-16;1-19(11-16(24)23(2)18(20)22-19)15-10-13-4-3-5-14(17(13)25-15)12-6-8-21-9-7-12;1-16(7-14(23)22(2)15(18)21-16)13-9-19-8-12(20-13)10-4-3-5-11(17)6-10/h1-7,9-14,17,23H,8,15-16,18H2,(H2,28,30)(H,29,32);5-9,11,17,25H,3-4,10H2,1-2H3,(H2,22,23);2-13H,14H2,1H3,(H2,21,23);3-10H,11H2,1-2H3,(H2,20,22);3-6,8-9H,7H2,1-2H3,(H2,18,21)/t;17-,20+;;19-;16-/m.0.00/s1.
What are the key properties of (5R,6S)-2-amino-6-[4-bromo-5-(hydroxymethyl)thiophen-2-yl]-5-(4-cyclopropylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-[6-(3-chlorophenyl)pyrazin-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-(7-pyridin-4-yl-1-benzothiophen-2-yl)-5H-pyrimidin-4-one;2-amino-3-[(1-methylimidazol-2-yl)methyl]-5,5-diphenylimidazol-4-one;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-cyclobutylbenzamide?
(5R,6S)-2-amino-6-[4-bromo-5-(hydroxymethyl)thiophen-2-yl]-5-(4-cyclopropylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-[6-(3-chlorophenyl)pyrazin-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-(7-pyridin-4-yl-1-benzothiophen-2-yl)-5H-pyrimidin-4-one;2-amino-3-[(1-methylimidazol-2-yl)methyl]-5,5-diphenylimidazol-4-one;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-cyclobutylbenzamide has a molecular weight of 1912.56 g/mol, XLogP of 14.80, 18 rotatable bonds, 7 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6S)-2-amino-6-[4-bromo-5-(hydroxymethyl)thiophen-2-yl]-5-(4-cyclopropylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-[6-(3-chlorophenyl)pyrazin-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-(7-pyridin-4-yl-1-benzothiophen-2-yl)-5H-pyrimidin-4-one;2-amino-3-[(1-methylimidazol-2-yl)methyl]-5,5-diphenylimidazol-4-one;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-cyclobutylbenzamide is sourced from PubChem (CID 159124578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).