(5S,6S)-2-amino-5-butyl-6-[3-(3-methoxyphenyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-butyl-6-[3-(3-methoxyphenyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one;(4S)-2-amino-N-[(3-chlorophenyl)methyl]-1,4-dimethyl-6-oxo-5H-pyrimidine-4-carboxamide;2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(3-methylbutan-2-yl)imidazol-4-one;(6S)-2-amino-3,6-dimethyl-6-(3-phenyl-1H-1,2,4-triazol-5-yl)-5H-pyrimidin-4-one;1-[4-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)butyl]-3-[(3-fluorophenyl)methyl]urea

C124H145Cl2FN24O10 — CID 157233070

About (5S,6S)-2-amino-5-butyl-6-[3-(3-methoxyphenyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-butyl-6-[3-(3-methoxyphenyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one;(4S)-2-amino-N-[(3-chlorophenyl)methyl]-1,4-dimethyl-6-oxo-5H-pyrimidine-4-carboxamide;2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(3-methylbutan-2-yl)imidazol-4-one;(6S)-2-amino-3,6-dimethyl-6-(3-phenyl-1H-1,2,4-triazol-5-yl)-5H-pyrimidin-4-one;1-[4-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)butyl]-3-[(3-fluorophenyl)methyl]urea

(5S,6S)-2-amino-5-butyl-6-[3-(3-methoxyphenyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-butyl-6-[3-(3-methoxyphenyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one;(4S)-2-amino-N-[(3-chlorophenyl)methyl]-1,4-dimethyl-6-oxo-5H-pyrimidine-4-carboxamide;2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(3-methylbutan-2-yl)imidazol-4-one;(6S)-2-amino-3,6-dimethyl-6-(3-phenyl-1H-1,2,4-triazol-5-yl)-5H-pyrimidin-4-one;1-[4-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)butyl]-3-[(3-fluorophenyl)methyl]urea (PubChem CID 157233070) has the molecular formula C124H145Cl2FN24O10 and a molecular weight of 2221.59 g/mol. Its IUPAC name is (5S,6S)-2-amino-5-butyl-6-[3-(3-methoxyphenyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-butyl-6-[3-(3-methoxyphenyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one;(4S)-2-amino-N-[(3-chlorophenyl)methyl]-1,4-dimethyl-6-oxo-5H-pyrimidine-4-carboxamide;2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(3-methylbutan-2-yl)imidazol-4-one;(6S)-2-amino-3,6-dimethyl-6-(3-phenyl-1H-1,2,4-triazol-5-yl)-5H-pyrimidin-4-one;1-[4-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)butyl]-3-[(3-fluorophenyl)methyl]urea.

Molecular Properties

• Compound Name: (5S,6S)-2-amino-5-butyl-6-[3-(3-methoxyphenyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-butyl-6-[3-(3-methoxyphenyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one;(4S)-2-amino-N-[(3-chlorophenyl)methyl]-1,4-dimethyl-6-oxo-5H-pyrimidine-4-carboxamide;2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(3-methylbutan-2-yl)imidazol-4-one;(6S)-2-amino-3,6-dimethyl-6-(3-phenyl-1H-1,2,4-triazol-5-yl)-5H-pyrimidin-4-one;1-[4-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)butyl]-3-[(3-fluorophenyl)methyl]urea
• PubChem CID: 157233070
• Molecular Formula: C124H145Cl2FN24O10
• Molecular Weight: 2221.59 g/mol
• Exact Mass: 2219.09
• IUPAC Name: (5S,6S)-2-amino-5-butyl-6-[3-(3-methoxyphenyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-butyl-6-[3-(3-methoxyphenyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one;(4S)-2-amino-N-[(3-chlorophenyl)methyl]-1,4-dimethyl-6-oxo-5H-pyrimidine-4-carboxamide;2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(3-methylbutan-2-yl)imidazol-4-one;(6S)-2-amino-3,6-dimethyl-6-(3-phenyl-1H-1,2,4-triazol-5-yl)-5H-pyrimidin-4-one;1-[4-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)butyl]-3-[(3-fluorophenyl)methyl]urea
• SMILES: CC(C)C(C)N1C(=O)C(c2cccc(-c3cccc(Cl)c3)c2)(C2CC2)N=C1N.CCCC[C@@H]1C(=O)N(C)C(N)=N[C@]1(C)c1cccc(-c2cccc(OC)c2)c1.CCCC[C@H]1C(=O)N(C)C(N)=N[C@]1(C)c1cccc(-c2cccc(OC)c2)c1.CN1C(=O)C[C@@](C)(C(=O)NCc2cccc(Cl)c2)N=C1N.CN1C(=O)C[C@@](C)(c2nc(-c3ccccc3)n[nH]2)N=C1N.NC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1CCCCNC(=O)NCc1cccc(F)c1
• InChI: InChI=1S/C27H28FN5O2.C23H26ClN3O.2C23H29N3O2.C14H17ClN4O2.C14H16N6O/c28-23-15-9-10-20(18-23)19-31-26(35)30-16-7-8-17-33-24(34)27(32-25(33)29,21-11-3-1-4-12-21)22-13-5-2-6-14-22;1-14(2)15(3)27-21(28)23(18-10-11-18,26-22(27)25)19-8-4-6-16(12-19)17-7-5-9-20(24)13-17;2*1-5-6-13-20-21(27)26(3)22(24)25-23(20,2)18-11-7-9-16(14-18)17-10-8-12-19(15-17)28-4;1-14(7-11(20)19(2)13(16)18-14)12(21)17-8-9-4-3-5-10(15)6-9;1-14(8-10(21)20(2)13(15)17-14)12-16-11(18-19-12)9-6-4-3-5-7-9/h1-6,9-15,18H,7-8,16-17,19H2,(H2,29,32)(H2,30,31,35);4-9,12-15,18H,10-11H2,1-3H3,(H2,25,26);2*7-12,14-15,20H,5-6,13H2,1-4H3,(H2,24,25);3-6H,7-8H2,1-2H3,(H2,16,18)(H,17,21);3-7H,8H2,1-2H3,(H2,15,17)(H,16,18,19)/t;;20-,23+;20-,23-;2*14-/m..0100/s1
• InChIKey: AUIBHYXBDYLYMP-KMPQAGSMSA-N
• XLogP: 18.42
• TPSA: 482.40 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 24
• Rotatable Bonds: 31
• Heavy Atoms: 161
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2221.59
LogP ≤ 5	18.42
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (5S,6S)-2-amino-5-butyl-6-[3-(3-methoxyphenyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-butyl-6-[3-(3-methoxyphenyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one;(4S)-2-amino-N-[(3-chlorophenyl)methyl]-1,4-dimethyl-6-oxo-5H-pyrimidine-4-carboxamide;2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(3-methylbutan-2-yl)imidazol-4-one;(6S)-2-amino-3,6-dimethyl-6-(3-phenyl-1H-1,2,4-triazol-5-yl)-5H-pyrimidin-4-one;1-[4-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)butyl]-3-[(3-fluorophenyl)methyl]urea?

The IUPAC name of (5S,6S)-2-amino-5-butyl-6-[3-(3-methoxyphenyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-butyl-6-[3-(3-methoxyphenyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one;(4S)-2-amino-N-[(3-chlorophenyl)methyl]-1,4-dimethyl-6-oxo-5H-pyrimidine-4-carboxamide;2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(3-methylbutan-2-yl)imidazol-4-one;(6S)-2-amino-3,6-dimethyl-6-(3-phenyl-1H-1,2,4-triazol-5-yl)-5H-pyrimidin-4-one;1-[4-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)butyl]-3-[(3-fluorophenyl)methyl]urea (CID 157233070) is (5S,6S)-2-amino-5-butyl-6-[3-(3-methoxyphenyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-butyl-6-[3-(3-methoxyphenyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one;(4S)-2-amino-N-[(3-chlorophenyl)methyl]-1,4-dimethyl-6-oxo-5H-pyrimidine-4-carboxamide;2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(3-methylbutan-2-yl)imidazol-4-one;(6S)-2-amino-3,6-dimethyl-6-(3-phenyl-1H-1,2,4-triazol-5-yl)-5H-pyrimidin-4-one;1-[4-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)butyl]-3-[(3-fluorophenyl)methyl]urea.

What is the SMILES notation for (5S,6S)-2-amino-5-butyl-6-[3-(3-methoxyphenyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-butyl-6-[3-(3-methoxyphenyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one;(4S)-2-amino-N-[(3-chlorophenyl)methyl]-1,4-dimethyl-6-oxo-5H-pyrimidine-4-carboxamide;2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(3-methylbutan-2-yl)imidazol-4-one;(6S)-2-amino-3,6-dimethyl-6-(3-phenyl-1H-1,2,4-triazol-5-yl)-5H-pyrimidin-4-one;1-[4-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)butyl]-3-[(3-fluorophenyl)methyl]urea?

The canonical SMILES for (5S,6S)-2-amino-5-butyl-6-[3-(3-methoxyphenyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-butyl-6-[3-(3-methoxyphenyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one;(4S)-2-amino-N-[(3-chlorophenyl)methyl]-1,4-dimethyl-6-oxo-5H-pyrimidine-4-carboxamide;2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(3-methylbutan-2-yl)imidazol-4-one;(6S)-2-amino-3,6-dimethyl-6-(3-phenyl-1H-1,2,4-triazol-5-yl)-5H-pyrimidin-4-one;1-[4-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)butyl]-3-[(3-fluorophenyl)methyl]urea is CC(C)C(C)N1C(=O)C(c2cccc(-c3cccc(Cl)c3)c2)(C2CC2)N=C1N.CCCC[C@@H]1C(=O)N(C)C(N)=N[C@]1(C)c1cccc(-c2cccc(OC)c2)c1.CCCC[C@H]1C(=O)N(C)C(N)=N[C@]1(C)c1cccc(-c2cccc(OC)c2)c1.CN1C(=O)C[C@@](C)(C(=O)NCc2cccc(Cl)c2)N=C1N.CN1C(=O)C[C@@](C)(c2nc(-c3ccccc3)n[nH]2)N=C1N.NC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1CCCCNC(=O)NCc1cccc(F)c1.

What is the InChIKey of (5S,6S)-2-amino-5-butyl-6-[3-(3-methoxyphenyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-butyl-6-[3-(3-methoxyphenyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one;(4S)-2-amino-N-[(3-chlorophenyl)methyl]-1,4-dimethyl-6-oxo-5H-pyrimidine-4-carboxamide;2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(3-methylbutan-2-yl)imidazol-4-one;(6S)-2-amino-3,6-dimethyl-6-(3-phenyl-1H-1,2,4-triazol-5-yl)-5H-pyrimidin-4-one;1-[4-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)butyl]-3-[(3-fluorophenyl)methyl]urea?

The InChIKey is AUIBHYXBDYLYMP-KMPQAGSMSA-N. The full InChI is InChI=1S/C27H28FN5O2.C23H26ClN3O.2C23H29N3O2.C14H17ClN4O2.C14H16N6O/c28-23-15-9-10-20(18-23)19-31-26(35)30-16-7-8-17-33-24(34)27(32-25(33)29,21-11-3-1-4-12-21)22-13-5-2-6-14-22;1-14(2)15(3)27-21(28)23(18-10-11-18,26-22(27)25)19-8-4-6-16(12-19)17-7-5-9-20(24)13-17;2*1-5-6-13-20-21(27)26(3)22(24)25-23(20,2)18-11-7-9-16(14-18)17-10-8-12-19(15-17)28-4;1-14(7-11(20)19(2)13(16)18-14)12(21)17-8-9-4-3-5-10(15)6-9;1-14(8-10(21)20(2)13(15)17-14)12-16-11(18-19-12)9-6-4-3-5-7-9/h1-6,9-15,18H,7-8,16-17,19H2,(H2,29,32)(H2,30,31,35);4-9,12-15,18H,10-11H2,1-3H3,(H2,25,26);2*7-12,14-15,20H,5-6,13H2,1-4H3,(H2,24,25);3-6H,7-8H2,1-2H3,(H2,16,18)(H,17,21);3-7H,8H2,1-2H3,(H2,15,17)(H,16,18,19)/t;;20-,23+;20-,23-;2*14-/m..0100/s1.

What are the key properties of (5S,6S)-2-amino-5-butyl-6-[3-(3-methoxyphenyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-butyl-6-[3-(3-methoxyphenyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one;(4S)-2-amino-N-[(3-chlorophenyl)methyl]-1,4-dimethyl-6-oxo-5H-pyrimidine-4-carboxamide;2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(3-methylbutan-2-yl)imidazol-4-one;(6S)-2-amino-3,6-dimethyl-6-(3-phenyl-1H-1,2,4-triazol-5-yl)-5H-pyrimidin-4-one;1-[4-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)butyl]-3-[(3-fluorophenyl)methyl]urea?

(5S,6S)-2-amino-5-butyl-6-[3-(3-methoxyphenyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-butyl-6-[3-(3-methoxyphenyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one;(4S)-2-amino-N-[(3-chlorophenyl)methyl]-1,4-dimethyl-6-oxo-5H-pyrimidine-4-carboxamide;2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(3-methylbutan-2-yl)imidazol-4-one;(6S)-2-amino-3,6-dimethyl-6-(3-phenyl-1H-1,2,4-triazol-5-yl)-5H-pyrimidin-4-one;1-[4-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)butyl]-3-[(3-fluorophenyl)methyl]urea has a molecular weight of 2221.59 g/mol, XLogP of 18.42, 31 rotatable bonds, 10 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for (5S,6S)-2-amino-5-butyl-6-[3-(3-methoxyphenyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-butyl-6-[3-(3-methoxyphenyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one;(4S)-2-amino-N-[(3-chlorophenyl)methyl]-1,4-dimethyl-6-oxo-5H-pyrimidine-4-carboxamide;2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(3-methylbutan-2-yl)imidazol-4-one;(6S)-2-amino-3,6-dimethyl-6-(3-phenyl-1H-1,2,4-triazol-5-yl)-5H-pyrimidin-4-one;1-[4-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)butyl]-3-[(3-fluorophenyl)methyl]urea is sourced from PubChem (CID 157233070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).