(6S)-2-amino-6-[4-(3-chloro-4-fluorophenyl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;1-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-3-(2-methoxyphenyl)urea;4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(2-fluorophenyl)piperidine-1-carboxamide;4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(4-fluorophenyl)piperidine-1-carboxamide;5-[3-(3-chlorophenyl)phenyl]-2,5-dimethyl-1,2,4-oxadiazol-3-amine;5-[3-(3-fluorophenyl)phenyl]-2,5-dimethyl-1,2,4-oxadiazol-3-amine

C131H144Cl2F4N24O10S — CID 158978964

About (6S)-2-amino-6-[4-(3-chloro-4-fluorophenyl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;1-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-3-(2-methoxyphenyl)urea;4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(2-fluorophenyl)piperidine-1-carboxamide;4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(4-fluorophenyl)piperidine-1-carboxamide;5-[3-(3-chlorophenyl)phenyl]-2,5-dimethyl-1,2,4-oxadiazol-3-amine;5-[3-(3-fluorophenyl)phenyl]-2,5-dimethyl-1,2,4-oxadiazol-3-amine

(6S)-2-amino-6-[4-(3-chloro-4-fluorophenyl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;1-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-3-(2-methoxyphenyl)urea;4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(2-fluorophenyl)piperidine-1-carboxamide;4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(4-fluorophenyl)piperidine-1-carboxamide;5-[3-(3-chlorophenyl)phenyl]-2,5-dimethyl-1,2,4-oxadiazol-3-amine;5-[3-(3-fluorophenyl)phenyl]-2,5-dimethyl-1,2,4-oxadiazol-3-amine (PubChem CID 158978964) has the molecular formula C131H144Cl2F4N24O10S and a molecular weight of 2393.72 g/mol. Its IUPAC name is (6S)-2-amino-6-[4-(3-chloro-4-fluorophenyl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;1-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-3-(2-methoxyphenyl)urea;4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(2-fluorophenyl)piperidine-1-carboxamide;4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(4-fluorophenyl)piperidine-1-carboxamide;5-[3-(3-chlorophenyl)phenyl]-2,5-dimethyl-1,2,4-oxadiazol-3-amine;5-[3-(3-fluorophenyl)phenyl]-2,5-dimethyl-1,2,4-oxadiazol-3-amine.

Molecular Properties

• Compound Name: (6S)-2-amino-6-[4-(3-chloro-4-fluorophenyl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;1-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-3-(2-methoxyphenyl)urea;4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(2-fluorophenyl)piperidine-1-carboxamide;4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(4-fluorophenyl)piperidine-1-carboxamide;5-[3-(3-chlorophenyl)phenyl]-2,5-dimethyl-1,2,4-oxadiazol-3-amine;5-[3-(3-fluorophenyl)phenyl]-2,5-dimethyl-1,2,4-oxadiazol-3-amine
• PubChem CID: 158978964
• Molecular Formula: C131H144Cl2F4N24O10S
• Molecular Weight: 2393.72 g/mol
• Exact Mass: 2391.05
• IUPAC Name: (6S)-2-amino-6-[4-(3-chloro-4-fluorophenyl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;1-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-3-(2-methoxyphenyl)urea;4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(2-fluorophenyl)piperidine-1-carboxamide;4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(4-fluorophenyl)piperidine-1-carboxamide;5-[3-(3-chlorophenyl)phenyl]-2,5-dimethyl-1,2,4-oxadiazol-3-amine;5-[3-(3-fluorophenyl)phenyl]-2,5-dimethyl-1,2,4-oxadiazol-3-amine
• SMILES: CN1C(=O)C[C@@](C)(c2cc(-c3ccc(F)c(Cl)c3)cs2)N=C1N.CN1OC(C)(c2cccc(-c3cccc(Cl)c3)c2)N=C1N.CN1OC(C)(c2cccc(-c3cccc(F)c3)c2)N=C1N.COc1ccccc1NC(=O)N[C@@H]1CCC[C@H](C[C@@]2(CCC3CCCCC3)N=C(N)N(C)C2=O)C1.NC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1CC1CCN(C(=O)Nc2ccc(F)cc2)CC1.NC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1CC1CCN(C(=O)Nc2ccccc2F)CC1
• InChI: InChI=1S/2C28H28FN5O2.C27H41N5O3.C16H15ClFN3OS.C16H16ClN3O.C16H16FN3O/c29-23-13-7-8-14-24(23)31-27(36)33-17-15-20(16-18-33)19-34-25(35)28(32-26(34)30,21-9-3-1-4-10-21)22-11-5-2-6-12-22;29-23-11-13-24(14-12-23)31-27(36)33-17-15-20(16-18-33)19-34-25(35)28(32-26(34)30,21-7-3-1-4-8-21)22-9-5-2-6-10-22;1-32-24(33)27(31-25(32)28,16-15-19-9-4-3-5-10-19)18-20-11-8-12-21(17-20)29-26(34)30-22-13-6-7-14-23(22)35-2;1-16(7-14(22)21(2)15(19)20-16)13-6-10(8-23-13)9-3-4-12(18)11(17)5-9;2*1-16(19-15(18)20(2)21-16)13-7-3-5-11(9-13)12-6-4-8-14(17)10-12/h2*1-14,20H,15-19H2,(H2,30,32)(H,31,36);6-7,13-14,19-21H,3-5,8-12,15-18H2,1-2H3,(H2,28,31)(H2,29,30,34);3-6,8H,7H2,1-2H3,(H2,19,20);2*3-10H,1-2H3,(H2,18,19)/t;;20-,21+,27+;16-;;/m..00../s1
• InChIKey: JOTDBNLLDKEHLC-SVLHRATHSA-N
• XLogP: 22.82
• TPSA: 451.50 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 25
• Rotatable Bonds: 24
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2393.72
LogP ≤ 5	22.82
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of (6S)-2-amino-6-[4-(3-chloro-4-fluorophenyl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;1-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-3-(2-methoxyphenyl)urea;4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(2-fluorophenyl)piperidine-1-carboxamide;4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(4-fluorophenyl)piperidine-1-carboxamide;5-[3-(3-chlorophenyl)phenyl]-2,5-dimethyl-1,2,4-oxadiazol-3-amine;5-[3-(3-fluorophenyl)phenyl]-2,5-dimethyl-1,2,4-oxadiazol-3-amine?

The IUPAC name of (6S)-2-amino-6-[4-(3-chloro-4-fluorophenyl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;1-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-3-(2-methoxyphenyl)urea;4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(2-fluorophenyl)piperidine-1-carboxamide;4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(4-fluorophenyl)piperidine-1-carboxamide;5-[3-(3-chlorophenyl)phenyl]-2,5-dimethyl-1,2,4-oxadiazol-3-amine;5-[3-(3-fluorophenyl)phenyl]-2,5-dimethyl-1,2,4-oxadiazol-3-amine (CID 158978964) is (6S)-2-amino-6-[4-(3-chloro-4-fluorophenyl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;1-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-3-(2-methoxyphenyl)urea;4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(2-fluorophenyl)piperidine-1-carboxamide;4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(4-fluorophenyl)piperidine-1-carboxamide;5-[3-(3-chlorophenyl)phenyl]-2,5-dimethyl-1,2,4-oxadiazol-3-amine;5-[3-(3-fluorophenyl)phenyl]-2,5-dimethyl-1,2,4-oxadiazol-3-amine.

What is the SMILES notation for (6S)-2-amino-6-[4-(3-chloro-4-fluorophenyl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;1-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-3-(2-methoxyphenyl)urea;4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(2-fluorophenyl)piperidine-1-carboxamide;4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(4-fluorophenyl)piperidine-1-carboxamide;5-[3-(3-chlorophenyl)phenyl]-2,5-dimethyl-1,2,4-oxadiazol-3-amine;5-[3-(3-fluorophenyl)phenyl]-2,5-dimethyl-1,2,4-oxadiazol-3-amine?

The canonical SMILES for (6S)-2-amino-6-[4-(3-chloro-4-fluorophenyl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;1-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-3-(2-methoxyphenyl)urea;4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(2-fluorophenyl)piperidine-1-carboxamide;4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(4-fluorophenyl)piperidine-1-carboxamide;5-[3-(3-chlorophenyl)phenyl]-2,5-dimethyl-1,2,4-oxadiazol-3-amine;5-[3-(3-fluorophenyl)phenyl]-2,5-dimethyl-1,2,4-oxadiazol-3-amine is CN1C(=O)C[C@@](C)(c2cc(-c3ccc(F)c(Cl)c3)cs2)N=C1N.CN1OC(C)(c2cccc(-c3cccc(Cl)c3)c2)N=C1N.CN1OC(C)(c2cccc(-c3cccc(F)c3)c2)N=C1N.COc1ccccc1NC(=O)N[C@@H]1CCC[C@H](C[C@@]2(CCC3CCCCC3)N=C(N)N(C)C2=O)C1.NC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1CC1CCN(C(=O)Nc2ccc(F)cc2)CC1.NC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1CC1CCN(C(=O)Nc2ccccc2F)CC1.

What is the InChIKey of (6S)-2-amino-6-[4-(3-chloro-4-fluorophenyl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;1-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-3-(2-methoxyphenyl)urea;4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(2-fluorophenyl)piperidine-1-carboxamide;4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(4-fluorophenyl)piperidine-1-carboxamide;5-[3-(3-chlorophenyl)phenyl]-2,5-dimethyl-1,2,4-oxadiazol-3-amine;5-[3-(3-fluorophenyl)phenyl]-2,5-dimethyl-1,2,4-oxadiazol-3-amine?

The InChIKey is JOTDBNLLDKEHLC-SVLHRATHSA-N. The full InChI is InChI=1S/2C28H28FN5O2.C27H41N5O3.C16H15ClFN3OS.C16H16ClN3O.C16H16FN3O/c29-23-13-7-8-14-24(23)31-27(36)33-17-15-20(16-18-33)19-34-25(35)28(32-26(34)30,21-9-3-1-4-10-21)22-11-5-2-6-12-22;29-23-11-13-24(14-12-23)31-27(36)33-17-15-20(16-18-33)19-34-25(35)28(32-26(34)30,21-7-3-1-4-8-21)22-9-5-2-6-10-22;1-32-24(33)27(31-25(32)28,16-15-19-9-4-3-5-10-19)18-20-11-8-12-21(17-20)29-26(34)30-22-13-6-7-14-23(22)35-2;1-16(7-14(22)21(2)15(19)20-16)13-6-10(8-23-13)9-3-4-12(18)11(17)5-9;2*1-16(19-15(18)20(2)21-16)13-7-3-5-11(9-13)12-6-4-8-14(17)10-12/h2*1-14,20H,15-19H2,(H2,30,32)(H,31,36);6-7,13-14,19-21H,3-5,8-12,15-18H2,1-2H3,(H2,28,31)(H2,29,30,34);3-6,8H,7H2,1-2H3,(H2,19,20);2*3-10H,1-2H3,(H2,18,19)/t;;20-,21+,27+;16-;;/m..00../s1.

What are the key properties of (6S)-2-amino-6-[4-(3-chloro-4-fluorophenyl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;1-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-3-(2-methoxyphenyl)urea;4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(2-fluorophenyl)piperidine-1-carboxamide;4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(4-fluorophenyl)piperidine-1-carboxamide;5-[3-(3-chlorophenyl)phenyl]-2,5-dimethyl-1,2,4-oxadiazol-3-amine;5-[3-(3-fluorophenyl)phenyl]-2,5-dimethyl-1,2,4-oxadiazol-3-amine?

(6S)-2-amino-6-[4-(3-chloro-4-fluorophenyl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;1-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-3-(2-methoxyphenyl)urea;4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(2-fluorophenyl)piperidine-1-carboxamide;4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(4-fluorophenyl)piperidine-1-carboxamide;5-[3-(3-chlorophenyl)phenyl]-2,5-dimethyl-1,2,4-oxadiazol-3-amine;5-[3-(3-fluorophenyl)phenyl]-2,5-dimethyl-1,2,4-oxadiazol-3-amine has a molecular weight of 2393.72 g/mol, XLogP of 22.82, 24 rotatable bonds, 10 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for (6S)-2-amino-6-[4-(3-chloro-4-fluorophenyl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;1-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-3-(2-methoxyphenyl)urea;4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(2-fluorophenyl)piperidine-1-carboxamide;4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(4-fluorophenyl)piperidine-1-carboxamide;5-[3-(3-chlorophenyl)phenyl]-2,5-dimethyl-1,2,4-oxadiazol-3-amine;5-[3-(3-fluorophenyl)phenyl]-2,5-dimethyl-1,2,4-oxadiazol-3-amine is sourced from PubChem (CID 158978964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).