(6S)-2-amino-6-[3-(2-chloro-5-methoxyphenyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-[2-(3,5-dichlorophenyl)-4-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one;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-fluorophenyl)phenyl]-2,5-dimethyl-1,2,4-oxadiazol-3-amine;5-[3-(3-methoxyphenyl)phenyl]-2,5-dimethyl-1,2,4-oxadiazol-3-amine

C125H127Cl3F3N23O10 — CID 159260040

About (6S)-2-amino-6-[3-(2-chloro-5-methoxyphenyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-[2-(3,5-dichlorophenyl)-4-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one;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-fluorophenyl)phenyl]-2,5-dimethyl-1,2,4-oxadiazol-3-amine;5-[3-(3-methoxyphenyl)phenyl]-2,5-dimethyl-1,2,4-oxadiazol-3-amine

(6S)-2-amino-6-[3-(2-chloro-5-methoxyphenyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-[2-(3,5-dichlorophenyl)-4-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one;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-fluorophenyl)phenyl]-2,5-dimethyl-1,2,4-oxadiazol-3-amine;5-[3-(3-methoxyphenyl)phenyl]-2,5-dimethyl-1,2,4-oxadiazol-3-amine (PubChem CID 159260040) has the molecular formula C125H127Cl3F3N23O10 and a molecular weight of 2274.89 g/mol. Its IUPAC name is (6S)-2-amino-6-[3-(2-chloro-5-methoxyphenyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-[2-(3,5-dichlorophenyl)-4-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one;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-fluorophenyl)phenyl]-2,5-dimethyl-1,2,4-oxadiazol-3-amine;5-[3-(3-methoxyphenyl)phenyl]-2,5-dimethyl-1,2,4-oxadiazol-3-amine.

Molecular Properties

• Compound Name: (6S)-2-amino-6-[3-(2-chloro-5-methoxyphenyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-[2-(3,5-dichlorophenyl)-4-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one;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-fluorophenyl)phenyl]-2,5-dimethyl-1,2,4-oxadiazol-3-amine;5-[3-(3-methoxyphenyl)phenyl]-2,5-dimethyl-1,2,4-oxadiazol-3-amine
• PubChem CID: 159260040
• Molecular Formula: C125H127Cl3F3N23O10
• Molecular Weight: 2274.89 g/mol
• Exact Mass: 2271.92
• IUPAC Name: (6S)-2-amino-6-[3-(2-chloro-5-methoxyphenyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-[2-(3,5-dichlorophenyl)-4-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one;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-fluorophenyl)phenyl]-2,5-dimethyl-1,2,4-oxadiazol-3-amine;5-[3-(3-methoxyphenyl)phenyl]-2,5-dimethyl-1,2,4-oxadiazol-3-amine
• SMILES: CN1C(=O)C[C@@](C)(c2ccnc(-c3cc(Cl)cc(Cl)c3)c2)N=C1N.CN1OC(C)(c2cccc(-c3cccc(F)c3)c2)N=C1N.COc1ccc(Cl)c(-c2cccc([C@]3(C)CC(=O)N(C)C(N)=N3)c2)c1.COc1cccc(-c2cccc(C3(C)N=C(N)N(C)O3)c2)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.C19H20ClN3O2.C17H16Cl2N4O.C17H19N3O2.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;1-19(11-17(24)23(2)18(21)22-19)13-6-4-5-12(9-13)15-10-14(25-3)7-8-16(15)20;1-17(9-15(24)23(2)16(20)22-17)11-3-4-21-14(7-11)10-5-12(18)8-13(19)6-10;1-17(19-16(18)20(2)22-17)14-8-4-6-12(10-14)13-7-5-9-15(11-13)21-3;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);4-10H,11H2,1-3H3,(H2,21,22);3-8H,9H2,1-2H3,(H2,20,22);4-11H,1-3H3,(H2,18,19);3-10H,1-2H3,(H2,18,19)/t;;19-;17-;;/m..00../s1
• InChIKey: KWJSAKNEBNTTPI-VXDRLZEKSA-N
• XLogP: 20.78
• TPSA: 432.49 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 25
• Rotatable Bonds: 20
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2274.89
LogP ≤ 5	20.78
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of (6S)-2-amino-6-[3-(2-chloro-5-methoxyphenyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-[2-(3,5-dichlorophenyl)-4-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one;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-fluorophenyl)phenyl]-2,5-dimethyl-1,2,4-oxadiazol-3-amine;5-[3-(3-methoxyphenyl)phenyl]-2,5-dimethyl-1,2,4-oxadiazol-3-amine?

The IUPAC name of (6S)-2-amino-6-[3-(2-chloro-5-methoxyphenyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-[2-(3,5-dichlorophenyl)-4-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one;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-fluorophenyl)phenyl]-2,5-dimethyl-1,2,4-oxadiazol-3-amine;5-[3-(3-methoxyphenyl)phenyl]-2,5-dimethyl-1,2,4-oxadiazol-3-amine (CID 159260040) is (6S)-2-amino-6-[3-(2-chloro-5-methoxyphenyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-[2-(3,5-dichlorophenyl)-4-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one;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-fluorophenyl)phenyl]-2,5-dimethyl-1,2,4-oxadiazol-3-amine;5-[3-(3-methoxyphenyl)phenyl]-2,5-dimethyl-1,2,4-oxadiazol-3-amine.

What is the SMILES notation for (6S)-2-amino-6-[3-(2-chloro-5-methoxyphenyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-[2-(3,5-dichlorophenyl)-4-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one;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-fluorophenyl)phenyl]-2,5-dimethyl-1,2,4-oxadiazol-3-amine;5-[3-(3-methoxyphenyl)phenyl]-2,5-dimethyl-1,2,4-oxadiazol-3-amine?

The canonical SMILES for (6S)-2-amino-6-[3-(2-chloro-5-methoxyphenyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-[2-(3,5-dichlorophenyl)-4-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one;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-fluorophenyl)phenyl]-2,5-dimethyl-1,2,4-oxadiazol-3-amine;5-[3-(3-methoxyphenyl)phenyl]-2,5-dimethyl-1,2,4-oxadiazol-3-amine is CN1C(=O)C[C@@](C)(c2ccnc(-c3cc(Cl)cc(Cl)c3)c2)N=C1N.CN1OC(C)(c2cccc(-c3cccc(F)c3)c2)N=C1N.COc1ccc(Cl)c(-c2cccc([C@]3(C)CC(=O)N(C)C(N)=N3)c2)c1.COc1cccc(-c2cccc(C3(C)N=C(N)N(C)O3)c2)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-[3-(2-chloro-5-methoxyphenyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-[2-(3,5-dichlorophenyl)-4-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one;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-fluorophenyl)phenyl]-2,5-dimethyl-1,2,4-oxadiazol-3-amine;5-[3-(3-methoxyphenyl)phenyl]-2,5-dimethyl-1,2,4-oxadiazol-3-amine?

The InChIKey is KWJSAKNEBNTTPI-VXDRLZEKSA-N. The full InChI is InChI=1S/2C28H28FN5O2.C19H20ClN3O2.C17H16Cl2N4O.C17H19N3O2.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;1-19(11-17(24)23(2)18(21)22-19)13-6-4-5-12(9-13)15-10-14(25-3)7-8-16(15)20;1-17(9-15(24)23(2)16(20)22-17)11-3-4-21-14(7-11)10-5-12(18)8-13(19)6-10;1-17(19-16(18)20(2)22-17)14-8-4-6-12(10-14)13-7-5-9-15(11-13)21-3;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);4-10H,11H2,1-3H3,(H2,21,22);3-8H,9H2,1-2H3,(H2,20,22);4-11H,1-3H3,(H2,18,19);3-10H,1-2H3,(H2,18,19)/t;;19-;17-;;/m..00../s1.

What are the key properties of (6S)-2-amino-6-[3-(2-chloro-5-methoxyphenyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-[2-(3,5-dichlorophenyl)-4-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one;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-fluorophenyl)phenyl]-2,5-dimethyl-1,2,4-oxadiazol-3-amine;5-[3-(3-methoxyphenyl)phenyl]-2,5-dimethyl-1,2,4-oxadiazol-3-amine?

(6S)-2-amino-6-[3-(2-chloro-5-methoxyphenyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-[2-(3,5-dichlorophenyl)-4-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one;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-fluorophenyl)phenyl]-2,5-dimethyl-1,2,4-oxadiazol-3-amine;5-[3-(3-methoxyphenyl)phenyl]-2,5-dimethyl-1,2,4-oxadiazol-3-amine has a molecular weight of 2274.89 g/mol, XLogP of 20.78, 20 rotatable bonds, 8 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for (6S)-2-amino-6-[3-(2-chloro-5-methoxyphenyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-[2-(3,5-dichlorophenyl)-4-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one;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-fluorophenyl)phenyl]-2,5-dimethyl-1,2,4-oxadiazol-3-amine;5-[3-(3-methoxyphenyl)phenyl]-2,5-dimethyl-1,2,4-oxadiazol-3-amine is sourced from PubChem (CID 159260040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).