2-amino-5-[3-[3-(aminomethyl)phenyl]phenyl]-3-methyl-5-phenylimidazol-4-one;2-amino-5-cyclopropyl-3-methyl-5-[3-(2-methyl-4-pyridinyl)phenyl]imidazol-4-one;(5R,6S)-2-amino-3,6-dimethyl-5-(1-phenylpiperidin-4-yl)-6-thiophen-2-yl-5H-pyrimidin-4-one;(5S,6S)-2-amino-3,6-dimethyl-5-(1-phenylpiperidin-4-yl)-6-thiophen-2-yl-5H-pyrimidin-4-one;(5S,6S)-2-amino-3,6-dimethyl-5-(4-propan-2-ylphenyl)-6-(4-pyridin-3-ylthiophen-2-yl)-5H-pyrimidin-4-one;(5R,6S)-2-amino-3,6-dimethyl-5-(4-propan-2-ylphenyl)-6-(4-pyridin-3-ylthiophen-2-yl)-5H-pyrimidin-4-one

C132H146N24O6S4 — CID 159054735

IUPAC2-amino-5-[3-[3-(aminomethyl)phenyl]phenyl]-3-methyl-5-phenylimidazol-4-one;2-amino-5-cyclopropyl-3-methyl-5-[3-(2-methyl-4-pyridinyl)phenyl]imidazol-4-one;(5R,6S)-2-amino-3,6-dimethyl-5-(1-phenylpiperidin-4-yl)-6-thiophen-2-yl-5H-pyrimidin-4-one;(5S,6S)-2-amino-3,6-dimethyl-5-(1-phenylpiperidin-4-yl)-6-thiophen-2-yl-5H-pyrimidin-4-one;(5S,6S)-2-amino-3,6-dimethyl-5-(4-propan-2-ylphenyl)-6-(4-pyridin-3-ylthiophen-2-yl)-5H-pyrimidin-4-one;(5R,6S)-2-amino-3,6-dimethyl-5-(4-propan-2-ylphenyl)-6-(4-pyridin-3-ylthiophen-2-yl)-5H-pyrimidin-4-one
SMILESCC(C)c1ccc([C@@H]2C(=O)N(C)C(N)=N[C@]2(C)c2cc(-c3cccnc3)cs2)cc1.CC(C)c1ccc([C@H]2C(=O)N(C)C(N)=N[C@]2(C)c2cc(-c3cccnc3)cs2)cc1.CN1C(=O)C(c2ccccc2)(c2cccc(-c3cccc(CN)c3)c2)N=C1N.CN1C(=O)[C@@H](C2CCN(c3ccccc3)CC2)[C@@](C)(c2cccs2)N=C1N.CN1C(=O)[C@H](C2CCN(c3ccccc3)CC2)[C@@](C)(c2cccs2)N=C1N.Cc1cc(-c2cccc(C3(C4CC4)N=C(N)N(C)C3=O)c2)ccn1
InChIInChI=1S/2C24H26N4OS.C23H22N4O.2C21H26N4OS.C19H20N4O/c2*1-15(2)16-7-9-17(10-8-16)21-22(29)28(4)23(25)27-24(21,3)20-12-19(14-30-20)18-6-5-11-26-13-18;1-27-21(28)23(26-22(27)25,19-10-3-2-4-11-19)20-12-6-9-18(14-20)17-8-5-7-16(13-17)15-24;2*1-21(17-9-6-14-27-17)18(19(26)24(2)20(22)23-21)15-10-12-25(13-11-15)16-7-4-3-5-8-16;1-12-10-14(8-9-21-12)13-4-3-5-16(11-13)19(15-6-7-15)17(24)23(2)18(20)22-19/h2*5-15,21H,1-4H3,(H2,25,27);2-14H,15,24H2,1H3,(H2,25,26);2*3-9,14-15,18H,10-13H2,1-2H3,(H2,22,23);3-5,8-11,15H,6-7H2,1-2H3,(H2,20,22)/t21-,24+;21-,24-;;18-,21+;18-,21-;/m01.01./s1
InChIKeyJXSFDASTFOCKKF-PQNSMQEQSA-N
MW2293.05 g/mol
LogP21.30
Rot. Bonds21

About 2-amino-5-[3-[3-(aminomethyl)phenyl]phenyl]-3-methyl-5-phenylimidazol-4-one;2-amino-5-cyclopropyl-3-methyl-5-[3-(2-methyl-4-pyridinyl)phenyl]imidazol-4-one;(5R,6S)-2-amino-3,6-dimethyl-5-(1-phenylpiperidin-4-yl)-6-thiophen-2-yl-5H-pyrimidin-4-one;(5S,6S)-2-amino-3,6-dimethyl-5-(1-phenylpiperidin-4-yl)-6-thiophen-2-yl-5H-pyrimidin-4-one;(5S,6S)-2-amino-3,6-dimethyl-5-(4-propan-2-ylphenyl)-6-(4-pyridin-3-ylthiophen-2-yl)-5H-pyrimidin-4-one;(5R,6S)-2-amino-3,6-dimethyl-5-(4-propan-2-ylphenyl)-6-(4-pyridin-3-ylthiophen-2-yl)-5H-pyrimidin-4-one

2-amino-5-[3-[3-(aminomethyl)phenyl]phenyl]-3-methyl-5-phenylimidazol-4-one;2-amino-5-cyclopropyl-3-methyl-5-[3-(2-methyl-4-pyridinyl)phenyl]imidazol-4-one;(5R,6S)-2-amino-3,6-dimethyl-5-(1-phenylpiperidin-4-yl)-6-thiophen-2-yl-5H-pyrimidin-4-one;(5S,6S)-2-amino-3,6-dimethyl-5-(1-phenylpiperidin-4-yl)-6-thiophen-2-yl-5H-pyrimidin-4-one;(5S,6S)-2-amino-3,6-dimethyl-5-(4-propan-2-ylphenyl)-6-(4-pyridin-3-ylthiophen-2-yl)-5H-pyrimidin-4-one;(5R,6S)-2-amino-3,6-dimethyl-5-(4-propan-2-ylphenyl)-6-(4-pyridin-3-ylthiophen-2-yl)-5H-pyrimidin-4-one (PubChem CID 159054735) has the molecular formula C132H146N24O6S4 and a molecular weight of 2293.05 g/mol. Its IUPAC name is 2-amino-5-[3-[3-(aminomethyl)phenyl]phenyl]-3-methyl-5-phenylimidazol-4-one;2-amino-5-cyclopropyl-3-methyl-5-[3-(2-methyl-4-pyridinyl)phenyl]imidazol-4-one;(5R,6S)-2-amino-3,6-dimethyl-5-(1-phenylpiperidin-4-yl)-6-thiophen-2-yl-5H-pyrimidin-4-one;(5S,6S)-2-amino-3,6-dimethyl-5-(1-phenylpiperidin-4-yl)-6-thiophen-2-yl-5H-pyrimidin-4-one;(5S,6S)-2-amino-3,6-dimethyl-5-(4-propan-2-ylphenyl)-6-(4-pyridin-3-ylthiophen-2-yl)-5H-pyrimidin-4-one;(5R,6S)-2-amino-3,6-dimethyl-5-(4-propan-2-ylphenyl)-6-(4-pyridin-3-ylthiophen-2-yl)-5H-pyrimidin-4-one.

Molecular Properties

Compound Name2-amino-5-[3-[3-(aminomethyl)phenyl]phenyl]-3-methyl-5-phenylimidazol-4-one;2-amino-5-cyclopropyl-3-methyl-5-[3-(2-methyl-4-pyridinyl)phenyl]imidazol-4-one;(5R,6S)-2-amino-3,6-dimethyl-5-(1-phenylpiperidin-4-yl)-6-thiophen-2-yl-5H-pyrimidin-4-one;(5S,6S)-2-amino-3,6-dimethyl-5-(1-phenylpiperidin-4-yl)-6-thiophen-2-yl-5H-pyrimidin-4-one;(5S,6S)-2-amino-3,6-dimethyl-5-(4-propan-2-ylphenyl)-6-(4-pyridin-3-ylthiophen-2-yl)-5H-pyrimidin-4-one;(5R,6S)-2-amino-3,6-dimethyl-5-(4-propan-2-ylphenyl)-6-(4-pyridin-3-ylthiophen-2-yl)-5H-pyrimidin-4-one
PubChem CID159054735
Molecular FormulaC132H146N24O6S4
Molecular Weight2293.05 g/mol
Exact Mass2291.07
IUPAC Name2-amino-5-[3-[3-(aminomethyl)phenyl]phenyl]-3-methyl-5-phenylimidazol-4-one;2-amino-5-cyclopropyl-3-methyl-5-[3-(2-methyl-4-pyridinyl)phenyl]imidazol-4-one;(5R,6S)-2-amino-3,6-dimethyl-5-(1-phenylpiperidin-4-yl)-6-thiophen-2-yl-5H-pyrimidin-4-one;(5S,6S)-2-amino-3,6-dimethyl-5-(1-phenylpiperidin-4-yl)-6-thiophen-2-yl-5H-pyrimidin-4-one;(5S,6S)-2-amino-3,6-dimethyl-5-(4-propan-2-ylphenyl)-6-(4-pyridin-3-ylthiophen-2-yl)-5H-pyrimidin-4-one;(5R,6S)-2-amino-3,6-dimethyl-5-(4-propan-2-ylphenyl)-6-(4-pyridin-3-ylthiophen-2-yl)-5H-pyrimidin-4-one
SMILESCC(C)c1ccc([C@@H]2C(=O)N(C)C(N)=N[C@]2(C)c2cc(-c3cccnc3)cs2)cc1.CC(C)c1ccc([C@H]2C(=O)N(C)C(N)=N[C@]2(C)c2cc(-c3cccnc3)cs2)cc1.CN1C(=O)C(c2ccccc2)(c2cccc(-c3cccc(CN)c3)c2)N=C1N.CN1C(=O)[C@@H](C2CCN(c3ccccc3)CC2)[C@@](C)(c2cccs2)N=C1N.CN1C(=O)[C@H](C2CCN(c3ccccc3)CC2)[C@@](C)(c2cccs2)N=C1N.Cc1cc(-c2cccc(C3(C4CC4)N=C(N)N(C)C3=O)c2)ccn1
InChIInChI=1S/2C24H26N4OS.C23H22N4O.2C21H26N4OS.C19H20N4O/c2*1-15(2)16-7-9-17(10-8-16)21-22(29)28(4)23(25)27-24(21,3)20-12-19(14-30-20)18-6-5-11-26-13-18;1-27-21(28)23(26-22(27)25,19-10-3-2-4-11-19)20-12-6-9-18(14-20)17-8-5-7-16(13-17)15-24;2*1-21(17-9-6-14-27-17)18(19(26)24(2)20(22)23-21)15-10-12-25(13-11-15)16-7-4-3-5-8-16;1-12-10-14(8-9-21-12)13-4-3-5-16(11-13)19(15-6-7-15)17(24)23(2)18(20)22-19/h2*5-15,21H,1-4H3,(H2,25,27);2-14H,15,24H2,1H3,(H2,25,26);2*3-9,14-15,18H,10-13H2,1-2H3,(H2,22,23);3-5,8-11,15H,6-7H2,1-2H3,(H2,20,22)/t21-,24+;21-,24-;;18-,21+;18-,21-;/m01.01./s1
InChIKeyJXSFDASTFOCKKF-PQNSMQEQSA-N
XLogP21.30
TPSA423.31 Ų
H-Bond Donors7
H-Bond Acceptors28
Rotatable Bonds21
Heavy Atoms166
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002293.05
LogP ≤ 521.30
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1028

Analyze 2-amino-5-[3-[3-(aminomethyl)phenyl]phenyl]-3-methyl-5-phenylimidazol-4-one;2-amino-5-cyclopropyl-3-methyl-5-[3-(2-methyl-4-pyridinyl)phenyl]imidazol-4-one;(5R,6S)-2-amino-3,6-dimethyl-5-(1-phenylpiperidin-4-yl)-6-thiophen-2-yl-5H-pyrimidin-4-one;(5S,6S)-2-amino-3,6-dimethyl-5-(1-phenylpiperidin-4-yl)-6-thiophen-2-yl-5H-pyrimidin-4-one;(5S,6S)-2-amino-3,6-dimethyl-5-(4-propan-2-ylphenyl)-6-(4-pyridin-3-ylthiophen-2-yl)-5H-pyrimidin-4-one;(5R,6S)-2-amino-3,6-dimethyl-5-(4-propan-2-ylphenyl)-6-(4-pyridin-3-ylthiophen-2-yl)-5H-pyrimidin-4-one with MolForge

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Launch Full Analysis

Related Compounds

(5R)-2-amino-5-cyclopropyl-3-methyl-5-[3-(5-prop-1-ynyl-3-pyridinyl)phenyl]imidazol-4-one;(6S)-2-amino-5,5-difluoro-3,6-dimethyl-6-[4-(5-prop-1-ynyl-3-pyridinyl)thiophen-2-yl]pyrimidin-4-one;(5R,6S)-2-amino-3,6-dimethyl-5-(4-propan-2-ylphenyl)-6-[4-(5-prop-1-ynyl-3-pyridinyl)thiophen-2-yl]-5H-pyrimidin-4-one;(6S)-2-amino-6-[3-(3-ethynylphenyl)-1-methylpyrazol-5-yl]-3,5,6-trimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-fluoro-3,6-dimethyl-6-[4-(5-prop-1-ynyl-3-pyridinyl)thiophen-2-yl]-5H-pyrimidin-4-one
CID 158259043
(5R)-2-amino-5-cyclopropyl-3-methyl-5-[3-(5-prop-1-ynyl-3-pyridinyl)phenyl]imidazol-4-one;(6S)-2-amino-5,5-difluoro-3,6-dimethyl-6-[4-(5-prop-1-ynyl-3-pyridinyl)thiophen-2-yl]pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-[1-methyl-3-(3-prop-1-ynylphenyl)pyrazol-5-yl]-5H-pyrimidin-4-one;(5R,6S)-2-amino-3,6-dimethyl-5-(4-propan-2-ylphenyl)-6-[4-(5-prop-1-ynyl-3-pyridinyl)thiophen-2-yl]-5H-pyrimidin-4-one;(6S)-2-amino-6-[3-(3-ethynylphenyl)-1-methylpyrazol-5-yl]-3,5,6-trimethyl-5H-pyrimidin-4-one
CID 160700599
(5S,6S)-2-amino-5-[4-(1,1-difluoroethyl)phenyl]-6-[4-(5-fluoro-3-pyridinyl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-[4-(1,1-difluoroethyl)phenyl]-6-[4-(5-fluoro-3-pyridinyl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;2-[4-[(4S,5S)-2-amino-4-[4-(5-fluoro-3-pyridinyl)thiophen-2-yl]-1,4-dimethyl-6-oxo-5H-pyrimidin-5-yl]phenyl]-2-methylpropanenitrile;2-[4-[(4S,5R)-2-amino-4-[4-(5-fluoro-3-pyridinyl)thiophen-2-yl]-1,4-dimethyl-6-oxo-5H-pyrimidin-5-yl]phenyl]-2-methylpropanenitrile
CID 161220481
(6S)-2-amino-5-cyclopropyl-3,6-dimethyl-6-[5-(3-prop-1-ynylphenyl)thiophen-2-yl]-5H-pyrimidin-4-one;(7S)-2-amino-3,7-dimethyl-7-[3-(5-prop-1-ynyl-3-pyridinyl)phenyl]-5,6-dihydro-1,3-diazepin-4-one;(6S)-2-amino-6-methyl-6-[4-(3-prop-1-ynylphenyl)thiophen-2-yl]-3-(pyridin-4-ylmethyl)-5H-pyrimidin-4-one;(6S)-2-amino-6-methyl-6-[4-(3-prop-1-ynylphenyl)thiophen-2-yl]-3-(1,3-thiazol-2-ylmethyl)-5H-pyrimidin-4-one;(6S)-2-amino-3,5,6-trimethyl-6-[2-(5-prop-1-ynyl-3-pyridinyl)-1,3-thiazol-5-yl]-5H-pyrimidin-4-one
CID 157238173
2-[4-[(4S,5R)-2-amino-4-[4-(5-chloro-3-pyridinyl)thiophen-2-yl]-1,4-dimethyl-6-oxo-5H-pyrimidin-5-yl]phenyl]-2-methylpropanenitrile;3-[5-[(4S,5R)-2-amino-1,4-dimethyl-6-oxo-5-(1-phenylpiperidin-4-yl)-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;3-[5-[(4S,5S)-2-amino-1,4-dimethyl-6-oxo-5-(1-phenylpiperidin-4-yl)-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;5-[5-[(4S,5S)-2-amino-1,4-dimethyl-6-oxo-5-(4-propan-2-ylphenyl)-5H-pyrimidin-4-yl]thiophen-3-yl]pyridine-3-carbonitrile
CID 157308091
N-[5-(4-aminophenyl)-3-thiophen-2-ylpyrazin-2-yl]acetamide;N-[5-(4-aminophenyl)-3-thiophen-2-ylpyrazin-2-yl]-2-cyclohexylacetamide;N-[5-(4-aminophenyl)-3-thiophen-2-ylpyrazin-2-yl]-2-methylbutanamide;N-[5-(4-aminophenyl)-3-thiophen-2-ylpyrazin-2-yl]-3-methylbutanamide
CID 157350970
7-(6-amino-2-pyridinyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-cyclohexyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-cyclopentyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-7-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-7-(2-methyl-4-phenylpiperazine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-7-(4-phenylpiperazine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
CID 157353164
5-amino-1-isoquinolin-6-yl-4-methyl-5-thiophen-2-ylpentan-2-one;2-benzyl-3-[carbamimidoyl(methyl)amino]-N-(5-fluoroisoquinolin-6-yl)propanamide;2-benzyl-3-(dimethylamino)-N-(5-fluoroisoquinolin-6-yl)butanamide;(3S)-3-(4-fluorophenyl)-1-isoquinolin-6-yl-4-piperazin-1-ylbutan-2-one;2-(5-isoquinolin-6-yl-3-methyl-4-oxo-1-thiophen-2-ylpentyl)guanidine;2-(5-isoquinolin-6-yl-4-oxo-1-thiophen-2-ylpentyl)guanidine
CID 157777477
5-amino-1-isoquinolin-6-yl-4-methyl-5-thiophen-2-ylpentan-2-one;2-benzyl-3-[carbamimidoyl(methyl)amino]-N-(5-fluoroisoquinolin-6-yl)propanamide;2-benzyl-3-(dimethylamino)-N-(5-fluoroisoquinolin-6-yl)butanamide;3-(4-fluorophenyl)-1-isoquinolin-6-yl-4-piperazin-1-ylbutan-2-one;2-(5-isoquinolin-6-yl-3-methyl-4-oxo-1-thiophen-2-ylpentyl)guanidine;2-(5-isoquinolin-6-yl-4-oxo-1-thiophen-2-ylpentyl)guanidine
CID 157777482
(5R,6S)-2-amino-5-(4-cyclopropylphenyl)-3,6-dimethyl-6-[2-(5-prop-1-ynyl-3-pyridinyl)-4-pyridinyl]-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-[4-(3-prop-1-ynylphenyl)-1,3-thiazol-2-yl]-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-fluoro-3,6-dimethyl-6-[4-(5-prop-1-ynyl-3-pyridinyl)thiophen-2-yl]-5H-pyrimidin-4-one;(4S)-6-imino-1,4-dimethyl-3-methylsulfanyl-4-[4-(5-prop-1-ynyl-3-pyridinyl)thiophen-2-yl]piperidin-2-one
CID 158041153
5-[(4S,5S)-2-amino-4-[4-(3-cyanophenyl)thiophen-2-yl]-1,4-dimethyl-6-oxo-5H-pyrimidin-5-yl]pyridine-2-carbonitrile;3-[3-[(4S,5R)-2-amino-5-ethyl-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]phenyl]benzonitrile;(5S,6S)-2-amino-6-[2-(2-fluoro-3-pyridinyl)-4-pyridinyl]-3,6-dimethyl-5-(4-phenylphenyl)-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-[2-(2-fluoro-3-pyridinyl)-4-pyridinyl]-3,6-dimethyl-5-(4-phenylphenyl)-5H-pyrimidin-4-one
CID 158054195
2-amino-5-[3-[3-(aminomethyl)phenyl]phenyl]-3-methyl-5-phenylimidazol-4-one;2-amino-3-[[(3S)-1-benzoylpiperidin-3-yl]methyl]-5,5-diphenylimidazol-4-one;2-amino-5-cyclopropyl-3-methyl-5-[3-(2-methyl-4-pyridinyl)phenyl]imidazol-4-one;2-amino-5-[4-(3-fluorophenyl)thiophen-2-yl]-3-methyl-5-phenylimidazol-4-one;N-[4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]-3-cyclopentylpropanamide
CID 158088980

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[3-[3-(aminomethyl)phenyl]phenyl]-3-methyl-5-phenylimidazol-4-one;2-amino-5-cyclopropyl-3-methyl-5-[3-(2-methyl-4-pyridinyl)phenyl]imidazol-4-one;(5R,6S)-2-amino-3,6-dimethyl-5-(1-phenylpiperidin-4-yl)-6-thiophen-2-yl-5H-pyrimidin-4-one;(5S,6S)-2-amino-3,6-dimethyl-5-(1-phenylpiperidin-4-yl)-6-thiophen-2-yl-5H-pyrimidin-4-one;(5S,6S)-2-amino-3,6-dimethyl-5-(4-propan-2-ylphenyl)-6-(4-pyridin-3-ylthiophen-2-yl)-5H-pyrimidin-4-one;(5R,6S)-2-amino-3,6-dimethyl-5-(4-propan-2-ylphenyl)-6-(4-pyridin-3-ylthiophen-2-yl)-5H-pyrimidin-4-one?
The IUPAC name of 2-amino-5-[3-[3-(aminomethyl)phenyl]phenyl]-3-methyl-5-phenylimidazol-4-one;2-amino-5-cyclopropyl-3-methyl-5-[3-(2-methyl-4-pyridinyl)phenyl]imidazol-4-one;(5R,6S)-2-amino-3,6-dimethyl-5-(1-phenylpiperidin-4-yl)-6-thiophen-2-yl-5H-pyrimidin-4-one;(5S,6S)-2-amino-3,6-dimethyl-5-(1-phenylpiperidin-4-yl)-6-thiophen-2-yl-5H-pyrimidin-4-one;(5S,6S)-2-amino-3,6-dimethyl-5-(4-propan-2-ylphenyl)-6-(4-pyridin-3-ylthiophen-2-yl)-5H-pyrimidin-4-one;(5R,6S)-2-amino-3,6-dimethyl-5-(4-propan-2-ylphenyl)-6-(4-pyridin-3-ylthiophen-2-yl)-5H-pyrimidin-4-one (CID 159054735) is 2-amino-5-[3-[3-(aminomethyl)phenyl]phenyl]-3-methyl-5-phenylimidazol-4-one;2-amino-5-cyclopropyl-3-methyl-5-[3-(2-methyl-4-pyridinyl)phenyl]imidazol-4-one;(5R,6S)-2-amino-3,6-dimethyl-5-(1-phenylpiperidin-4-yl)-6-thiophen-2-yl-5H-pyrimidin-4-one;(5S,6S)-2-amino-3,6-dimethyl-5-(1-phenylpiperidin-4-yl)-6-thiophen-2-yl-5H-pyrimidin-4-one;(5S,6S)-2-amino-3,6-dimethyl-5-(4-propan-2-ylphenyl)-6-(4-pyridin-3-ylthiophen-2-yl)-5H-pyrimidin-4-one;(5R,6S)-2-amino-3,6-dimethyl-5-(4-propan-2-ylphenyl)-6-(4-pyridin-3-ylthiophen-2-yl)-5H-pyrimidin-4-one.
What is the SMILES notation for 2-amino-5-[3-[3-(aminomethyl)phenyl]phenyl]-3-methyl-5-phenylimidazol-4-one;2-amino-5-cyclopropyl-3-methyl-5-[3-(2-methyl-4-pyridinyl)phenyl]imidazol-4-one;(5R,6S)-2-amino-3,6-dimethyl-5-(1-phenylpiperidin-4-yl)-6-thiophen-2-yl-5H-pyrimidin-4-one;(5S,6S)-2-amino-3,6-dimethyl-5-(1-phenylpiperidin-4-yl)-6-thiophen-2-yl-5H-pyrimidin-4-one;(5S,6S)-2-amino-3,6-dimethyl-5-(4-propan-2-ylphenyl)-6-(4-pyridin-3-ylthiophen-2-yl)-5H-pyrimidin-4-one;(5R,6S)-2-amino-3,6-dimethyl-5-(4-propan-2-ylphenyl)-6-(4-pyridin-3-ylthiophen-2-yl)-5H-pyrimidin-4-one?
The canonical SMILES for 2-amino-5-[3-[3-(aminomethyl)phenyl]phenyl]-3-methyl-5-phenylimidazol-4-one;2-amino-5-cyclopropyl-3-methyl-5-[3-(2-methyl-4-pyridinyl)phenyl]imidazol-4-one;(5R,6S)-2-amino-3,6-dimethyl-5-(1-phenylpiperidin-4-yl)-6-thiophen-2-yl-5H-pyrimidin-4-one;(5S,6S)-2-amino-3,6-dimethyl-5-(1-phenylpiperidin-4-yl)-6-thiophen-2-yl-5H-pyrimidin-4-one;(5S,6S)-2-amino-3,6-dimethyl-5-(4-propan-2-ylphenyl)-6-(4-pyridin-3-ylthiophen-2-yl)-5H-pyrimidin-4-one;(5R,6S)-2-amino-3,6-dimethyl-5-(4-propan-2-ylphenyl)-6-(4-pyridin-3-ylthiophen-2-yl)-5H-pyrimidin-4-one is CC(C)c1ccc([C@@H]2C(=O)N(C)C(N)=N[C@]2(C)c2cc(-c3cccnc3)cs2)cc1.CC(C)c1ccc([C@H]2C(=O)N(C)C(N)=N[C@]2(C)c2cc(-c3cccnc3)cs2)cc1.CN1C(=O)C(c2ccccc2)(c2cccc(-c3cccc(CN)c3)c2)N=C1N.CN1C(=O)[C@@H](C2CCN(c3ccccc3)CC2)[C@@](C)(c2cccs2)N=C1N.CN1C(=O)[C@H](C2CCN(c3ccccc3)CC2)[C@@](C)(c2cccs2)N=C1N.Cc1cc(-c2cccc(C3(C4CC4)N=C(N)N(C)C3=O)c2)ccn1.
What is the InChIKey of 2-amino-5-[3-[3-(aminomethyl)phenyl]phenyl]-3-methyl-5-phenylimidazol-4-one;2-amino-5-cyclopropyl-3-methyl-5-[3-(2-methyl-4-pyridinyl)phenyl]imidazol-4-one;(5R,6S)-2-amino-3,6-dimethyl-5-(1-phenylpiperidin-4-yl)-6-thiophen-2-yl-5H-pyrimidin-4-one;(5S,6S)-2-amino-3,6-dimethyl-5-(1-phenylpiperidin-4-yl)-6-thiophen-2-yl-5H-pyrimidin-4-one;(5S,6S)-2-amino-3,6-dimethyl-5-(4-propan-2-ylphenyl)-6-(4-pyridin-3-ylthiophen-2-yl)-5H-pyrimidin-4-one;(5R,6S)-2-amino-3,6-dimethyl-5-(4-propan-2-ylphenyl)-6-(4-pyridin-3-ylthiophen-2-yl)-5H-pyrimidin-4-one?
The InChIKey is JXSFDASTFOCKKF-PQNSMQEQSA-N. The full InChI is InChI=1S/2C24H26N4OS.C23H22N4O.2C21H26N4OS.C19H20N4O/c2*1-15(2)16-7-9-17(10-8-16)21-22(29)28(4)23(25)27-24(21,3)20-12-19(14-30-20)18-6-5-11-26-13-18;1-27-21(28)23(26-22(27)25,19-10-3-2-4-11-19)20-12-6-9-18(14-20)17-8-5-7-16(13-17)15-24;2*1-21(17-9-6-14-27-17)18(19(26)24(2)20(22)23-21)15-10-12-25(13-11-15)16-7-4-3-5-8-16;1-12-10-14(8-9-21-12)13-4-3-5-16(11-13)19(15-6-7-15)17(24)23(2)18(20)22-19/h2*5-15,21H,1-4H3,(H2,25,27);2-14H,15,24H2,1H3,(H2,25,26);2*3-9,14-15,18H,10-13H2,1-2H3,(H2,22,23);3-5,8-11,15H,6-7H2,1-2H3,(H2,20,22)/t21-,24+;21-,24-;;18-,21+;18-,21-;/m01.01./s1.
What are the key properties of 2-amino-5-[3-[3-(aminomethyl)phenyl]phenyl]-3-methyl-5-phenylimidazol-4-one;2-amino-5-cyclopropyl-3-methyl-5-[3-(2-methyl-4-pyridinyl)phenyl]imidazol-4-one;(5R,6S)-2-amino-3,6-dimethyl-5-(1-phenylpiperidin-4-yl)-6-thiophen-2-yl-5H-pyrimidin-4-one;(5S,6S)-2-amino-3,6-dimethyl-5-(1-phenylpiperidin-4-yl)-6-thiophen-2-yl-5H-pyrimidin-4-one;(5S,6S)-2-amino-3,6-dimethyl-5-(4-propan-2-ylphenyl)-6-(4-pyridin-3-ylthiophen-2-yl)-5H-pyrimidin-4-one;(5R,6S)-2-amino-3,6-dimethyl-5-(4-propan-2-ylphenyl)-6-(4-pyridin-3-ylthiophen-2-yl)-5H-pyrimidin-4-one?
2-amino-5-[3-[3-(aminomethyl)phenyl]phenyl]-3-methyl-5-phenylimidazol-4-one;2-amino-5-cyclopropyl-3-methyl-5-[3-(2-methyl-4-pyridinyl)phenyl]imidazol-4-one;(5R,6S)-2-amino-3,6-dimethyl-5-(1-phenylpiperidin-4-yl)-6-thiophen-2-yl-5H-pyrimidin-4-one;(5S,6S)-2-amino-3,6-dimethyl-5-(1-phenylpiperidin-4-yl)-6-thiophen-2-yl-5H-pyrimidin-4-one;(5S,6S)-2-amino-3,6-dimethyl-5-(4-propan-2-ylphenyl)-6-(4-pyridin-3-ylthiophen-2-yl)-5H-pyrimidin-4-one;(5R,6S)-2-amino-3,6-dimethyl-5-(4-propan-2-ylphenyl)-6-(4-pyridin-3-ylthiophen-2-yl)-5H-pyrimidin-4-one has a molecular weight of 2293.05 g/mol, XLogP of 21.30, 21 rotatable bonds, 7 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[3-[3-(aminomethyl)phenyl]phenyl]-3-methyl-5-phenylimidazol-4-one;2-amino-5-cyclopropyl-3-methyl-5-[3-(2-methyl-4-pyridinyl)phenyl]imidazol-4-one;(5R,6S)-2-amino-3,6-dimethyl-5-(1-phenylpiperidin-4-yl)-6-thiophen-2-yl-5H-pyrimidin-4-one;(5S,6S)-2-amino-3,6-dimethyl-5-(1-phenylpiperidin-4-yl)-6-thiophen-2-yl-5H-pyrimidin-4-one;(5S,6S)-2-amino-3,6-dimethyl-5-(4-propan-2-ylphenyl)-6-(4-pyridin-3-ylthiophen-2-yl)-5H-pyrimidin-4-one;(5R,6S)-2-amino-3,6-dimethyl-5-(4-propan-2-ylphenyl)-6-(4-pyridin-3-ylthiophen-2-yl)-5H-pyrimidin-4-one is sourced from PubChem (CID 159054735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).