(6S)-2-amino-6-(1-benzothiophen-5-yl)-6-methyl-3-(pyridin-3-ylmethyl)-5H-pyrimidin-4-one;5-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-2-iodothiophen-3-yl]-2-fluorobenzonitrile;(6S)-2-amino-3,6-dimethyl-6-phenyl-5H-pyrimidin-4-one;3-[5-[(4S)-2-amino-4-methyl-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;1-[3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)phenyl]-3-(2-phenylethyl)urea;2-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N,N-dipropyl-1H-imidazole-5-carboxamide

C122H127FIN27O9S3 — CID 157069544

IUPAC(6S)-2-amino-6-(1-benzothiophen-5-yl)-6-methyl-3-(pyridin-3-ylmethyl)-5H-pyrimidin-4-one;5-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-2-iodothiophen-3-yl]-2-fluorobenzonitrile;(6S)-2-amino-3,6-dimethyl-6-phenyl-5H-pyrimidin-4-one;3-[5-[(4S)-2-amino-4-methyl-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;1-[3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)phenyl]-3-(2-phenylethyl)urea;2-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N,N-dipropyl-1H-imidazole-5-carboxamide
SMILESCCCN(CCC)C(=O)c1cnc(CN2C(=O)C(c3ccccc3)(c3ccccc3)N=C2N)[nH]1.CN1C(=O)C(c2ccccc2)(c2cccc(NC(=O)NCCc3ccccc3)c2)N=C1N.CN1C(=O)C[C@@](C)(c2cc(-c3ccc(F)c(C#N)c3)c(I)s2)N=C1N.CN1C(=O)C[C@@](C)(c2ccccc2)N=C1N.C[C@@]1(c2cc(-c3cccc(C#N)c3)cs2)CC(=O)N(CCCN2CCCC2=O)C(N)=N1.C[C@@]1(c2ccc3sccc3c2)CC(=O)N(Cc2cccnc2)C(N)=N1
InChIInChI=1S/C26H30N6O2.C25H25N5O2.C23H25N5O2S.C19H18N4OS.C17H14FIN4OS.C12H15N3O/c1-3-15-31(16-4-2)23(33)21-17-28-22(29-21)18-32-24(34)26(30-25(32)27,19-11-7-5-8-12-19)20-13-9-6-10-14-20;1-30-22(31)25(29-23(30)26,19-11-6-3-7-12-19)20-13-8-14-21(17-20)28-24(32)27-16-15-18-9-4-2-5-10-18;1-23(19-12-18(15-31-19)17-6-2-5-16(11-17)14-24)13-21(30)28(22(25)26-23)10-4-9-27-8-3-7-20(27)29;1-19(15-4-5-16-14(9-15)6-8-25-16)10-17(24)23(18(20)22-19)12-13-3-2-7-21-11-13;1-17(7-14(24)23(2)16(21)22-17)13-6-11(15(19)25-13)9-3-4-12(18)10(5-9)8-20;1-12(9-6-4-3-5-7-9)8-10(16)15(2)11(13)14-12/h5-14,17H,3-4,15-16,18H2,1-2H3,(H2,27,30)(H,28,29);2-14,17H,15-16H2,1H3,(H2,26,29)(H2,27,28,32);2,5-6,11-12,15H,3-4,7-10,13H2,1H3,(H2,25,26);2-9,11H,10,12H2,1H3,(H2,20,22);3-6H,7H2,1-2H3,(H2,21,22);3-7H,8H2,1-2H3,(H2,13,14)/t;;23-;19-;17-;12-/m..0000/s1
InChIKeyACGMKZOMWFZDAF-AVROZJHWSA-N
MW2357.64 g/mol
LogP17.17
Rot. Bonds27

About (6S)-2-amino-6-(1-benzothiophen-5-yl)-6-methyl-3-(pyridin-3-ylmethyl)-5H-pyrimidin-4-one;5-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-2-iodothiophen-3-yl]-2-fluorobenzonitrile;(6S)-2-amino-3,6-dimethyl-6-phenyl-5H-pyrimidin-4-one;3-[5-[(4S)-2-amino-4-methyl-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;1-[3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)phenyl]-3-(2-phenylethyl)urea;2-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N,N-dipropyl-1H-imidazole-5-carboxamide

(6S)-2-amino-6-(1-benzothiophen-5-yl)-6-methyl-3-(pyridin-3-ylmethyl)-5H-pyrimidin-4-one;5-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-2-iodothiophen-3-yl]-2-fluorobenzonitrile;(6S)-2-amino-3,6-dimethyl-6-phenyl-5H-pyrimidin-4-one;3-[5-[(4S)-2-amino-4-methyl-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;1-[3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)phenyl]-3-(2-phenylethyl)urea;2-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N,N-dipropyl-1H-imidazole-5-carboxamide (PubChem CID 157069544) has the molecular formula C122H127FIN27O9S3 and a molecular weight of 2357.64 g/mol. Its IUPAC name is (6S)-2-amino-6-(1-benzothiophen-5-yl)-6-methyl-3-(pyridin-3-ylmethyl)-5H-pyrimidin-4-one;5-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-2-iodothiophen-3-yl]-2-fluorobenzonitrile;(6S)-2-amino-3,6-dimethyl-6-phenyl-5H-pyrimidin-4-one;3-[5-[(4S)-2-amino-4-methyl-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;1-[3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)phenyl]-3-(2-phenylethyl)urea;2-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N,N-dipropyl-1H-imidazole-5-carboxamide.

Molecular Properties

Compound Name(6S)-2-amino-6-(1-benzothiophen-5-yl)-6-methyl-3-(pyridin-3-ylmethyl)-5H-pyrimidin-4-one;5-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-2-iodothiophen-3-yl]-2-fluorobenzonitrile;(6S)-2-amino-3,6-dimethyl-6-phenyl-5H-pyrimidin-4-one;3-[5-[(4S)-2-amino-4-methyl-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;1-[3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)phenyl]-3-(2-phenylethyl)urea;2-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N,N-dipropyl-1H-imidazole-5-carboxamide
PubChem CID157069544
Molecular FormulaC122H127FIN27O9S3
Molecular Weight2357.64 g/mol
Exact Mass2355.85
IUPAC Name(6S)-2-amino-6-(1-benzothiophen-5-yl)-6-methyl-3-(pyridin-3-ylmethyl)-5H-pyrimidin-4-one;5-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-2-iodothiophen-3-yl]-2-fluorobenzonitrile;(6S)-2-amino-3,6-dimethyl-6-phenyl-5H-pyrimidin-4-one;3-[5-[(4S)-2-amino-4-methyl-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;1-[3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)phenyl]-3-(2-phenylethyl)urea;2-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N,N-dipropyl-1H-imidazole-5-carboxamide
SMILESCCCN(CCC)C(=O)c1cnc(CN2C(=O)C(c3ccccc3)(c3ccccc3)N=C2N)[nH]1.CN1C(=O)C(c2ccccc2)(c2cccc(NC(=O)NCCc3ccccc3)c2)N=C1N.CN1C(=O)C[C@@](C)(c2cc(-c3ccc(F)c(C#N)c3)c(I)s2)N=C1N.CN1C(=O)C[C@@](C)(c2ccccc2)N=C1N.C[C@@]1(c2cc(-c3cccc(C#N)c3)cs2)CC(=O)N(CCCN2CCCC2=O)C(N)=N1.C[C@@]1(c2ccc3sccc3c2)CC(=O)N(Cc2cccnc2)C(N)=N1
InChIInChI=1S/C26H30N6O2.C25H25N5O2.C23H25N5O2S.C19H18N4OS.C17H14FIN4OS.C12H15N3O/c1-3-15-31(16-4-2)23(33)21-17-28-22(29-21)18-32-24(34)26(30-25(32)27,19-11-7-5-8-12-19)20-13-9-6-10-14-20;1-30-22(31)25(29-23(30)26,19-11-6-3-7-12-19)20-13-8-14-21(17-20)28-24(32)27-16-15-18-9-4-2-5-10-18;1-23(19-12-18(15-31-19)17-6-2-5-16(11-17)14-24)13-21(30)28(22(25)26-23)10-4-9-27-8-3-7-20(27)29;1-19(15-4-5-16-14(9-15)6-8-25-16)10-17(24)23(18(20)22-19)12-13-3-2-7-21-11-13;1-17(7-14(24)23(2)16(21)22-17)13-6-11(15(19)25-13)9-3-4-12(18)10(5-9)8-20;1-12(9-6-4-3-5-7-9)8-10(16)15(2)11(13)14-12/h5-14,17H,3-4,15-16,18H2,1-2H3,(H2,27,30)(H,28,29);2-14,17H,15-16H2,1H3,(H2,26,29)(H2,27,28,32);2,5-6,11-12,15H,3-4,7-10,13H2,1H3,(H2,25,26);2-9,11H,10,12H2,1H3,(H2,20,22);3-6H,7H2,1-2H3,(H2,21,22);3-7H,8H2,1-2H3,(H2,13,14)/t;;23-;19-;17-;12-/m..0000/s1
InChIKeyACGMKZOMWFZDAF-AVROZJHWSA-N
XLogP17.17
TPSA523.04 Ų
H-Bond Donors9
H-Bond Acceptors28
Rotatable Bonds27
Heavy Atoms163
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002357.64
LogP ≤ 517.17
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze (6S)-2-amino-6-(1-benzothiophen-5-yl)-6-methyl-3-(pyridin-3-ylmethyl)-5H-pyrimidin-4-one;5-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-2-iodothiophen-3-yl]-2-fluorobenzonitrile;(6S)-2-amino-3,6-dimethyl-6-phenyl-5H-pyrimidin-4-one;3-[5-[(4S)-2-amino-4-methyl-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;1-[3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)phenyl]-3-(2-phenylethyl)urea;2-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N,N-dipropyl-1H-imidazole-5-carboxamide with MolForge

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Related Compounds

3-[3-[(4S,5S)-2-amino-5-benzyl-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]phenyl]benzonitrile;3-[3-[(4S,5R)-2-amino-5-benzyl-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]phenyl]benzonitrile;5-[(4S)-2-amino-5-[4-(1,1-difluoroethyl)phenyl]-4-methyl-6-oxo-1,5-dihydropyrimidin-4-yl]thiophene-2-carbonitrile;(5S,6S)-2-amino-3,6-dimethyl-5-(4-propan-2-ylphenyl)-6-(1,3-thiazol-2-yl)-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-(3-thiophen-2-ylimidazo[1,2-a]pyridin-6-yl)-5H-pyrimidin-4-one;N-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]-2-phenylacetamide
CID 161395487
5-[5-[(7aR)-2-amino-6-(3-fluorobenzoyl)-3-methyl-4-oxo-5,7-dihydro-4aH-pyrrolo[3,4-d]pyrimidin-7a-yl]thiophen-3-yl]-2-fluorobenzonitrile;2-amino-6-(cyclohexanecarbonyl)-3-methyl-7a-[5-(5-prop-1-ynyl-3-pyridinyl)thiophen-2-yl]-5,7-dihydro-4aH-pyrrolo[3,4-d]pyrimidin-4-one;2-amino-6-(1H-indole-2-carbonyl)-3-methyl-7a-thiophen-2-yl-5,7-dihydro-4aH-pyrrolo[3,4-d]pyrimidin-4-one;2-amino-6-(1H-indole-3-carbonyl)-3-methyl-7a-thiophen-2-yl-5,7-dihydro-4aH-pyrrolo[3,4-d]pyrimidin-4-one
CID 160982155
N-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl]-5-[[5-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl-(cyclohexanecarbonyl)amino]-3-phenyl-1H-indole-2-carbonyl]-(2-methylpropyl)amino]-3-phenyl-2-(thiomorpholine-4-carbonyl)indole-1-carboxamide;5-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl-(cyclohexanecarbonyl)amino]-N-(thiophen-2-ylmethyl)-1-benzothiophene-2-carboxamide;5-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl-heptanoylamino]-N-(thiophen-2-ylmethyl)-1-benzothiophene-2-carboxamide;5-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl-pentanoylamino]-N-(2-thiophen-2-ylethyl)-1-benzothiophene-2-carboxamide;5-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl-pentanoylamino]-N-(thiophen-2-ylmethyl)-1-benzothiophene-2-carboxamide
CID 173228285
5-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl-(cyclohexanecarbonyl)amino]-1-(2-methylpropyl)-3-phenylindole-2-carboxamide;5-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl-(cyclohexanecarbonyl)amino]-N-(thiophen-2-ylmethyl)-1-benzothiophene-2-carboxamide;5-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl-heptanoylamino]-N-(thiophen-2-ylmethyl)-1-benzothiophene-2-carboxamide;5-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl-pentanoylamino]-N-(2-thiophen-2-ylethyl)-1-benzothiophene-2-carboxamide;5-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl-pentanoylamino]-N-(thiophen-2-ylmethyl)-1-benzothiophene-2-carboxamide;4-[[5-[[[3-phenyl-2-(thiomorpholine-4-carbonyl)-1H-indol-5-yl]amino]methyl]imidazol-1-yl]methyl]benzonitrile
CID 173228287

Frequently Asked Questions

What is the IUPAC name of (6S)-2-amino-6-(1-benzothiophen-5-yl)-6-methyl-3-(pyridin-3-ylmethyl)-5H-pyrimidin-4-one;5-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-2-iodothiophen-3-yl]-2-fluorobenzonitrile;(6S)-2-amino-3,6-dimethyl-6-phenyl-5H-pyrimidin-4-one;3-[5-[(4S)-2-amino-4-methyl-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;1-[3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)phenyl]-3-(2-phenylethyl)urea;2-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N,N-dipropyl-1H-imidazole-5-carboxamide?
The IUPAC name of (6S)-2-amino-6-(1-benzothiophen-5-yl)-6-methyl-3-(pyridin-3-ylmethyl)-5H-pyrimidin-4-one;5-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-2-iodothiophen-3-yl]-2-fluorobenzonitrile;(6S)-2-amino-3,6-dimethyl-6-phenyl-5H-pyrimidin-4-one;3-[5-[(4S)-2-amino-4-methyl-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;1-[3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)phenyl]-3-(2-phenylethyl)urea;2-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N,N-dipropyl-1H-imidazole-5-carboxamide (CID 157069544) is (6S)-2-amino-6-(1-benzothiophen-5-yl)-6-methyl-3-(pyridin-3-ylmethyl)-5H-pyrimidin-4-one;5-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-2-iodothiophen-3-yl]-2-fluorobenzonitrile;(6S)-2-amino-3,6-dimethyl-6-phenyl-5H-pyrimidin-4-one;3-[5-[(4S)-2-amino-4-methyl-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;1-[3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)phenyl]-3-(2-phenylethyl)urea;2-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N,N-dipropyl-1H-imidazole-5-carboxamide.
What is the SMILES notation for (6S)-2-amino-6-(1-benzothiophen-5-yl)-6-methyl-3-(pyridin-3-ylmethyl)-5H-pyrimidin-4-one;5-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-2-iodothiophen-3-yl]-2-fluorobenzonitrile;(6S)-2-amino-3,6-dimethyl-6-phenyl-5H-pyrimidin-4-one;3-[5-[(4S)-2-amino-4-methyl-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;1-[3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)phenyl]-3-(2-phenylethyl)urea;2-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N,N-dipropyl-1H-imidazole-5-carboxamide?
The canonical SMILES for (6S)-2-amino-6-(1-benzothiophen-5-yl)-6-methyl-3-(pyridin-3-ylmethyl)-5H-pyrimidin-4-one;5-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-2-iodothiophen-3-yl]-2-fluorobenzonitrile;(6S)-2-amino-3,6-dimethyl-6-phenyl-5H-pyrimidin-4-one;3-[5-[(4S)-2-amino-4-methyl-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;1-[3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)phenyl]-3-(2-phenylethyl)urea;2-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N,N-dipropyl-1H-imidazole-5-carboxamide is CCCN(CCC)C(=O)c1cnc(CN2C(=O)C(c3ccccc3)(c3ccccc3)N=C2N)[nH]1.CN1C(=O)C(c2ccccc2)(c2cccc(NC(=O)NCCc3ccccc3)c2)N=C1N.CN1C(=O)C[C@@](C)(c2cc(-c3ccc(F)c(C#N)c3)c(I)s2)N=C1N.CN1C(=O)C[C@@](C)(c2ccccc2)N=C1N.C[C@@]1(c2cc(-c3cccc(C#N)c3)cs2)CC(=O)N(CCCN2CCCC2=O)C(N)=N1.C[C@@]1(c2ccc3sccc3c2)CC(=O)N(Cc2cccnc2)C(N)=N1.
What is the InChIKey of (6S)-2-amino-6-(1-benzothiophen-5-yl)-6-methyl-3-(pyridin-3-ylmethyl)-5H-pyrimidin-4-one;5-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-2-iodothiophen-3-yl]-2-fluorobenzonitrile;(6S)-2-amino-3,6-dimethyl-6-phenyl-5H-pyrimidin-4-one;3-[5-[(4S)-2-amino-4-methyl-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;1-[3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)phenyl]-3-(2-phenylethyl)urea;2-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N,N-dipropyl-1H-imidazole-5-carboxamide?
The InChIKey is ACGMKZOMWFZDAF-AVROZJHWSA-N. The full InChI is InChI=1S/C26H30N6O2.C25H25N5O2.C23H25N5O2S.C19H18N4OS.C17H14FIN4OS.C12H15N3O/c1-3-15-31(16-4-2)23(33)21-17-28-22(29-21)18-32-24(34)26(30-25(32)27,19-11-7-5-8-12-19)20-13-9-6-10-14-20;1-30-22(31)25(29-23(30)26,19-11-6-3-7-12-19)20-13-8-14-21(17-20)28-24(32)27-16-15-18-9-4-2-5-10-18;1-23(19-12-18(15-31-19)17-6-2-5-16(11-17)14-24)13-21(30)28(22(25)26-23)10-4-9-27-8-3-7-20(27)29;1-19(15-4-5-16-14(9-15)6-8-25-16)10-17(24)23(18(20)22-19)12-13-3-2-7-21-11-13;1-17(7-14(24)23(2)16(21)22-17)13-6-11(15(19)25-13)9-3-4-12(18)10(5-9)8-20;1-12(9-6-4-3-5-7-9)8-10(16)15(2)11(13)14-12/h5-14,17H,3-4,15-16,18H2,1-2H3,(H2,27,30)(H,28,29);2-14,17H,15-16H2,1H3,(H2,26,29)(H2,27,28,32);2,5-6,11-12,15H,3-4,7-10,13H2,1H3,(H2,25,26);2-9,11H,10,12H2,1H3,(H2,20,22);3-6H,7H2,1-2H3,(H2,21,22);3-7H,8H2,1-2H3,(H2,13,14)/t;;23-;19-;17-;12-/m..0000/s1.
What are the key properties of (6S)-2-amino-6-(1-benzothiophen-5-yl)-6-methyl-3-(pyridin-3-ylmethyl)-5H-pyrimidin-4-one;5-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-2-iodothiophen-3-yl]-2-fluorobenzonitrile;(6S)-2-amino-3,6-dimethyl-6-phenyl-5H-pyrimidin-4-one;3-[5-[(4S)-2-amino-4-methyl-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;1-[3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)phenyl]-3-(2-phenylethyl)urea;2-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N,N-dipropyl-1H-imidazole-5-carboxamide?
(6S)-2-amino-6-(1-benzothiophen-5-yl)-6-methyl-3-(pyridin-3-ylmethyl)-5H-pyrimidin-4-one;5-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-2-iodothiophen-3-yl]-2-fluorobenzonitrile;(6S)-2-amino-3,6-dimethyl-6-phenyl-5H-pyrimidin-4-one;3-[5-[(4S)-2-amino-4-methyl-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;1-[3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)phenyl]-3-(2-phenylethyl)urea;2-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N,N-dipropyl-1H-imidazole-5-carboxamide has a molecular weight of 2357.64 g/mol, XLogP of 17.17, 27 rotatable bonds, 9 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-2-amino-6-(1-benzothiophen-5-yl)-6-methyl-3-(pyridin-3-ylmethyl)-5H-pyrimidin-4-one;5-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-2-iodothiophen-3-yl]-2-fluorobenzonitrile;(6S)-2-amino-3,6-dimethyl-6-phenyl-5H-pyrimidin-4-one;3-[5-[(4S)-2-amino-4-methyl-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;1-[3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)phenyl]-3-(2-phenylethyl)urea;2-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N,N-dipropyl-1H-imidazole-5-carboxamide is sourced from PubChem (CID 157069544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).