(6S)-2-amino-6-[7-[2-chloro-5-(trifluoromethoxy)phenyl]-1-benzothiophen-5-yl]-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-(4-cyclopropylphenyl)-6-(1H-indazol-6-yl)-3,6-dimethyl-5H-pyrimidin-4-one;5-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5-pyrazol-1-yl-5H-pyrimidin-4-yl]thiophen-3-yl]-2-fluorobenzonitrile;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-pentan-3-ylbenzamide;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(pyridin-4-ylmethyl)benzamide

C120H112ClF4N23O8S2 — CID 161487802

IUPAC(6S)-2-amino-6-[7-[2-chloro-5-(trifluoromethoxy)phenyl]-1-benzothiophen-5-yl]-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-(4-cyclopropylphenyl)-6-(1H-indazol-6-yl)-3,6-dimethyl-5H-pyrimidin-4-one;5-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5-pyrazol-1-yl-5H-pyrimidin-4-yl]thiophen-3-yl]-2-fluorobenzonitrile;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-pentan-3-ylbenzamide;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(pyridin-4-ylmethyl)benzamide
SMILESCCC(CC)NC(=O)c1cccc(CN2C(=O)C(c3ccccc3)(c3ccccc3)N=C2N)c1.CN1C(=O)C(n2cccn2)[C@@](C)(c2cc(-c3ccc(F)c(C#N)c3)cs2)N=C1N.CN1C(=O)C[C@@](C)(c2cc(-c3cc(OC(F)(F)F)ccc3Cl)c3sccc3c2)N=C1N.CN1C(=O)[C@H](c2ccc(C3CC3)cc2)[C@@](C)(c2ccc3cn[nH]c3c2)N=C1N.NC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1Cc1cccc(C(=O)NCc2ccncc2)c1
InChIInChI=1S/C29H25N5O2.C28H30N4O2.C22H23N5O.C21H17ClF3N3O2S.C20H17FN6OS/c30-28-33-29(24-10-3-1-4-11-24,25-12-5-2-6-13-25)27(36)34(28)20-22-8-7-9-23(18-22)26(35)32-19-21-14-16-31-17-15-21;1-3-24(4-2)30-25(33)21-13-11-12-20(18-21)19-32-26(34)28(31-27(32)29,22-14-7-5-8-15-22)23-16-9-6-10-17-23;1-22(17-10-9-16-12-24-26-18(16)11-17)19(20(28)27(2)21(23)25-22)15-7-5-14(6-8-15)13-3-4-13;1-20(10-17(29)28(2)19(26)27-20)12-7-11-5-6-31-18(11)15(8-12)14-9-13(3-4-16(14)22)30-21(23,24)25;1-20(17(27-7-3-6-24-27)18(28)26(2)19(23)25-20)16-9-14(11-29-16)12-4-5-15(21)13(8-12)10-22/h1-18H,19-20H2,(H2,30,33)(H,32,35);5-18,24H,3-4,19H2,1-2H3,(H2,29,31)(H,30,33);5-13,19H,3-4H2,1-2H3,(H2,23,25)(H,24,26);3-9H,10H2,1-2H3,(H2,26,27);3-9,11,17H,1-2H3,(H2,23,25)/t;;19-,22+;20-;17?,20-/m..001/s1
InChIKeyWFEWPIQYKJMNJF-VEFNGPSKSA-N
MW2179.95 g/mol
LogP19.42
Rot. Bonds24

About (6S)-2-amino-6-[7-[2-chloro-5-(trifluoromethoxy)phenyl]-1-benzothiophen-5-yl]-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-(4-cyclopropylphenyl)-6-(1H-indazol-6-yl)-3,6-dimethyl-5H-pyrimidin-4-one;5-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5-pyrazol-1-yl-5H-pyrimidin-4-yl]thiophen-3-yl]-2-fluorobenzonitrile;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-pentan-3-ylbenzamide;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(pyridin-4-ylmethyl)benzamide

(6S)-2-amino-6-[7-[2-chloro-5-(trifluoromethoxy)phenyl]-1-benzothiophen-5-yl]-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-(4-cyclopropylphenyl)-6-(1H-indazol-6-yl)-3,6-dimethyl-5H-pyrimidin-4-one;5-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5-pyrazol-1-yl-5H-pyrimidin-4-yl]thiophen-3-yl]-2-fluorobenzonitrile;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-pentan-3-ylbenzamide;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(pyridin-4-ylmethyl)benzamide (PubChem CID 161487802) has the molecular formula C120H112ClF4N23O8S2 and a molecular weight of 2179.95 g/mol. Its IUPAC name is (6S)-2-amino-6-[7-[2-chloro-5-(trifluoromethoxy)phenyl]-1-benzothiophen-5-yl]-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-(4-cyclopropylphenyl)-6-(1H-indazol-6-yl)-3,6-dimethyl-5H-pyrimidin-4-one;5-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5-pyrazol-1-yl-5H-pyrimidin-4-yl]thiophen-3-yl]-2-fluorobenzonitrile;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-pentan-3-ylbenzamide;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(pyridin-4-ylmethyl)benzamide.

Molecular Properties

Compound Name(6S)-2-amino-6-[7-[2-chloro-5-(trifluoromethoxy)phenyl]-1-benzothiophen-5-yl]-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-(4-cyclopropylphenyl)-6-(1H-indazol-6-yl)-3,6-dimethyl-5H-pyrimidin-4-one;5-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5-pyrazol-1-yl-5H-pyrimidin-4-yl]thiophen-3-yl]-2-fluorobenzonitrile;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-pentan-3-ylbenzamide;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(pyridin-4-ylmethyl)benzamide
PubChem CID161487802
Molecular FormulaC120H112ClF4N23O8S2
Molecular Weight2179.95 g/mol
Exact Mass2177.81
IUPAC Name(6S)-2-amino-6-[7-[2-chloro-5-(trifluoromethoxy)phenyl]-1-benzothiophen-5-yl]-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-(4-cyclopropylphenyl)-6-(1H-indazol-6-yl)-3,6-dimethyl-5H-pyrimidin-4-one;5-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5-pyrazol-1-yl-5H-pyrimidin-4-yl]thiophen-3-yl]-2-fluorobenzonitrile;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-pentan-3-ylbenzamide;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(pyridin-4-ylmethyl)benzamide
SMILESCCC(CC)NC(=O)c1cccc(CN2C(=O)C(c3ccccc3)(c3ccccc3)N=C2N)c1.CN1C(=O)C(n2cccn2)[C@@](C)(c2cc(-c3ccc(F)c(C#N)c3)cs2)N=C1N.CN1C(=O)C[C@@](C)(c2cc(-c3cc(OC(F)(F)F)ccc3Cl)c3sccc3c2)N=C1N.CN1C(=O)[C@H](c2ccc(C3CC3)cc2)[C@@](C)(c2ccc3cn[nH]c3c2)N=C1N.NC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1Cc1cccc(C(=O)NCc2ccncc2)c1
InChIInChI=1S/C29H25N5O2.C28H30N4O2.C22H23N5O.C21H17ClF3N3O2S.C20H17FN6OS/c30-28-33-29(24-10-3-1-4-11-24,25-12-5-2-6-13-25)27(36)34(28)20-22-8-7-9-23(18-22)26(35)32-19-21-14-16-31-17-15-21;1-3-24(4-2)30-25(33)21-13-11-12-20(18-21)19-32-26(34)28(31-27(32)29,22-14-7-5-8-15-22)23-16-9-6-10-17-23;1-22(17-10-9-16-12-24-26-18(16)11-17)19(20(28)27(2)21(23)25-22)15-7-5-14(6-8-15)13-3-4-13;1-20(10-17(29)28(2)19(26)27-20)12-7-11-5-6-31-18(11)15(8-12)14-9-13(3-4-16(14)22)30-21(23,24)25;1-20(17(27-7-3-6-24-27)18(28)26(2)19(23)25-20)16-9-14(11-29-16)12-4-5-15(21)13(8-12)10-22/h1-18H,19-20H2,(H2,30,33)(H,32,35);5-18,24H,3-4,19H2,1-2H3,(H2,29,31)(H,30,33);5-13,19H,3-4H2,1-2H3,(H2,23,25)(H,24,26);3-9H,10H2,1-2H3,(H2,26,27);3-9,11,17H,1-2H3,(H2,23,25)/t;;19-,22+;20-;17?,20-/m..001/s1
InChIKeyWFEWPIQYKJMNJF-VEFNGPSKSA-N
XLogP19.42
TPSA444.06 Ų
H-Bond Donors8
H-Bond Acceptors25
Rotatable Bonds24
Heavy Atoms158
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002179.95
LogP ≤ 519.42
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1025

Analyze (6S)-2-amino-6-[7-[2-chloro-5-(trifluoromethoxy)phenyl]-1-benzothiophen-5-yl]-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-(4-cyclopropylphenyl)-6-(1H-indazol-6-yl)-3,6-dimethyl-5H-pyrimidin-4-one;5-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5-pyrazol-1-yl-5H-pyrimidin-4-yl]thiophen-3-yl]-2-fluorobenzonitrile;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-pentan-3-ylbenzamide;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(pyridin-4-ylmethyl)benzamide with MolForge

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Related Compounds

(4R)-1-[(1-acetylpyrrolidin-3-yl)methyl]-2-amino-4-[3-(3-methoxyphenyl)phenyl]-5,5-dimethyl-4H-pyrimidin-6-one;(5R,6S)-2-amino-5-cyclopropyl-6-[4-(6-fluoro-3-pyridinyl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;(5S,6S)-2-amino-6-(4,5-difluorothiophen-2-yl)-3,6-dimethyl-5-[4-(trifluoromethyl)phenyl]-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-(4,5-difluorothiophen-2-yl)-3,6-dimethyl-5-[4-(trifluoromethyl)phenyl]-5H-pyrimidin-4-one;3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-1-methylpyrazol-3-yl]benzonitrile;(5R)-2-amino-3-methyl-5-(2-phenylethyl)-5-[[(1S,3S)-3-(pyridin-3-ylamino)cyclohexyl]methyl]imidazol-4-one
CID 158645123
3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-2-(hydroxymethyl)thiophen-3-yl]benzonitrile;5-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-1-methylpyrazol-3-yl]-2-chlorobenzonitrile;3-[5-[(4S)-2-amino-5-(3-hydroxy-1-phenylpyrrolidin-3-yl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;3-[[2-amino-4-methyl-5-oxo-4-(3-pyridin-3-ylphenyl)imidazol-1-yl]methyl]-N,N-dipropylbenzamide;2-amino-1-methyl-4-[3-[3-(trifluoromethoxy)phenyl]phenyl]-4,5-dihydropyrimidin-6-one
CID 162055679
(6S)-2-amino-6-(2-benzylindazol-6-yl)-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-[4-(3-chloro-4-fluorophenyl)thiophen-2-yl]-3,6-dimethyl-5-pyrazol-1-yl-5H-pyrimidin-4-one;2-amino-3-[(2,6-difluorophenyl)methyl]-5,5-diphenylimidazol-4-one;N-[[2-[3-(2-amino-1,4-dimethyl-5-oxoimidazol-4-yl)phenyl]-4-chlorophenyl]methyl]-3-methoxybenzamide;3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-1-methylpyrazol-3-yl]-5-chlorobenzonitrile
CID 158868579
(5S,6S)-2-amino-5-(4-tert-butylphenyl)-3,6-dimethyl-6-(1-methylindazol-6-yl)-5H-pyrimidin-4-one;5-[5-[(8S)-6-amino-5,8-dimethyl-4-oxo-5,7-diazaspiro[2.5]oct-6-en-8-yl]thiophen-3-yl]-2-fluorobenzonitrile;3-[5-[(4S)-2-amino-5-(4-methoxyphenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-1,3-thiazol-2-yl]benzonitrile;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(2-phenylethyl)benzamide
CID 160160817
(6S)-2-amino-6-(4-bromo-3-chlorothiophen-2-yl)-3,6-dimethyl-5H-pyrimidin-4-one;(3R)-3-[[2-amino-4-[3-(3-chlorophenyl)phenyl]-4-methyl-5-oxoimidazol-1-yl]methyl]-N-(2-phenylethyl)pyrrolidine-1-carboxamide;(6S)-2-amino-6-[6-(3-chlorophenyl)-2-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-(3-thiophen-3-yl-1H-indazol-6-yl)-5H-pyrimidin-4-one;5-[5-(2-amino-5-methoxy-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)thiophen-3-yl]-2-fluorobenzonitrile;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-[(3-methoxyphenyl)methyl]benzamide
CID 161289390
2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(4-hydroxycyclohexyl)imidazol-4-one;2-[(4S,5R)-2-amino-5-(4-cyclopropylphenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-1-benzothiophene-7-carbonitrile;4-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-1-benzothiophen-7-yl]benzonitrile;3-[3-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]piperidine-1-carbonyl]benzonitrile;(6S)-2-amino-6-(2-ethylindazol-6-yl)-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-[3-(3-methoxypiperidin-1-yl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-6-[3-(2-fluoro-5-methoxyphenyl)phenyl]-6-methyl-2-methylimino-1,3-diazinan-4-one
CID 161383935

Frequently Asked Questions

What is the IUPAC name of (6S)-2-amino-6-[7-[2-chloro-5-(trifluoromethoxy)phenyl]-1-benzothiophen-5-yl]-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-(4-cyclopropylphenyl)-6-(1H-indazol-6-yl)-3,6-dimethyl-5H-pyrimidin-4-one;5-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5-pyrazol-1-yl-5H-pyrimidin-4-yl]thiophen-3-yl]-2-fluorobenzonitrile;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-pentan-3-ylbenzamide;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(pyridin-4-ylmethyl)benzamide?
The IUPAC name of (6S)-2-amino-6-[7-[2-chloro-5-(trifluoromethoxy)phenyl]-1-benzothiophen-5-yl]-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-(4-cyclopropylphenyl)-6-(1H-indazol-6-yl)-3,6-dimethyl-5H-pyrimidin-4-one;5-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5-pyrazol-1-yl-5H-pyrimidin-4-yl]thiophen-3-yl]-2-fluorobenzonitrile;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-pentan-3-ylbenzamide;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(pyridin-4-ylmethyl)benzamide (CID 161487802) is (6S)-2-amino-6-[7-[2-chloro-5-(trifluoromethoxy)phenyl]-1-benzothiophen-5-yl]-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-(4-cyclopropylphenyl)-6-(1H-indazol-6-yl)-3,6-dimethyl-5H-pyrimidin-4-one;5-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5-pyrazol-1-yl-5H-pyrimidin-4-yl]thiophen-3-yl]-2-fluorobenzonitrile;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-pentan-3-ylbenzamide;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(pyridin-4-ylmethyl)benzamide.
What is the SMILES notation for (6S)-2-amino-6-[7-[2-chloro-5-(trifluoromethoxy)phenyl]-1-benzothiophen-5-yl]-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-(4-cyclopropylphenyl)-6-(1H-indazol-6-yl)-3,6-dimethyl-5H-pyrimidin-4-one;5-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5-pyrazol-1-yl-5H-pyrimidin-4-yl]thiophen-3-yl]-2-fluorobenzonitrile;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-pentan-3-ylbenzamide;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(pyridin-4-ylmethyl)benzamide?
The canonical SMILES for (6S)-2-amino-6-[7-[2-chloro-5-(trifluoromethoxy)phenyl]-1-benzothiophen-5-yl]-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-(4-cyclopropylphenyl)-6-(1H-indazol-6-yl)-3,6-dimethyl-5H-pyrimidin-4-one;5-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5-pyrazol-1-yl-5H-pyrimidin-4-yl]thiophen-3-yl]-2-fluorobenzonitrile;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-pentan-3-ylbenzamide;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(pyridin-4-ylmethyl)benzamide is CCC(CC)NC(=O)c1cccc(CN2C(=O)C(c3ccccc3)(c3ccccc3)N=C2N)c1.CN1C(=O)C(n2cccn2)[C@@](C)(c2cc(-c3ccc(F)c(C#N)c3)cs2)N=C1N.CN1C(=O)C[C@@](C)(c2cc(-c3cc(OC(F)(F)F)ccc3Cl)c3sccc3c2)N=C1N.CN1C(=O)[C@H](c2ccc(C3CC3)cc2)[C@@](C)(c2ccc3cn[nH]c3c2)N=C1N.NC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1Cc1cccc(C(=O)NCc2ccncc2)c1.
What is the InChIKey of (6S)-2-amino-6-[7-[2-chloro-5-(trifluoromethoxy)phenyl]-1-benzothiophen-5-yl]-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-(4-cyclopropylphenyl)-6-(1H-indazol-6-yl)-3,6-dimethyl-5H-pyrimidin-4-one;5-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5-pyrazol-1-yl-5H-pyrimidin-4-yl]thiophen-3-yl]-2-fluorobenzonitrile;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-pentan-3-ylbenzamide;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(pyridin-4-ylmethyl)benzamide?
The InChIKey is WFEWPIQYKJMNJF-VEFNGPSKSA-N. The full InChI is InChI=1S/C29H25N5O2.C28H30N4O2.C22H23N5O.C21H17ClF3N3O2S.C20H17FN6OS/c30-28-33-29(24-10-3-1-4-11-24,25-12-5-2-6-13-25)27(36)34(28)20-22-8-7-9-23(18-22)26(35)32-19-21-14-16-31-17-15-21;1-3-24(4-2)30-25(33)21-13-11-12-20(18-21)19-32-26(34)28(31-27(32)29,22-14-7-5-8-15-22)23-16-9-6-10-17-23;1-22(17-10-9-16-12-24-26-18(16)11-17)19(20(28)27(2)21(23)25-22)15-7-5-14(6-8-15)13-3-4-13;1-20(10-17(29)28(2)19(26)27-20)12-7-11-5-6-31-18(11)15(8-12)14-9-13(3-4-16(14)22)30-21(23,24)25;1-20(17(27-7-3-6-24-27)18(28)26(2)19(23)25-20)16-9-14(11-29-16)12-4-5-15(21)13(8-12)10-22/h1-18H,19-20H2,(H2,30,33)(H,32,35);5-18,24H,3-4,19H2,1-2H3,(H2,29,31)(H,30,33);5-13,19H,3-4H2,1-2H3,(H2,23,25)(H,24,26);3-9H,10H2,1-2H3,(H2,26,27);3-9,11,17H,1-2H3,(H2,23,25)/t;;19-,22+;20-;17?,20-/m..001/s1.
What are the key properties of (6S)-2-amino-6-[7-[2-chloro-5-(trifluoromethoxy)phenyl]-1-benzothiophen-5-yl]-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-(4-cyclopropylphenyl)-6-(1H-indazol-6-yl)-3,6-dimethyl-5H-pyrimidin-4-one;5-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5-pyrazol-1-yl-5H-pyrimidin-4-yl]thiophen-3-yl]-2-fluorobenzonitrile;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-pentan-3-ylbenzamide;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(pyridin-4-ylmethyl)benzamide?
(6S)-2-amino-6-[7-[2-chloro-5-(trifluoromethoxy)phenyl]-1-benzothiophen-5-yl]-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-(4-cyclopropylphenyl)-6-(1H-indazol-6-yl)-3,6-dimethyl-5H-pyrimidin-4-one;5-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5-pyrazol-1-yl-5H-pyrimidin-4-yl]thiophen-3-yl]-2-fluorobenzonitrile;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-pentan-3-ylbenzamide;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(pyridin-4-ylmethyl)benzamide has a molecular weight of 2179.95 g/mol, XLogP of 19.42, 24 rotatable bonds, 8 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-2-amino-6-[7-[2-chloro-5-(trifluoromethoxy)phenyl]-1-benzothiophen-5-yl]-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-(4-cyclopropylphenyl)-6-(1H-indazol-6-yl)-3,6-dimethyl-5H-pyrimidin-4-one;5-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5-pyrazol-1-yl-5H-pyrimidin-4-yl]thiophen-3-yl]-2-fluorobenzonitrile;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-pentan-3-ylbenzamide;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(pyridin-4-ylmethyl)benzamide is sourced from PubChem (CID 161487802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).