(6S)-2-amino-6-[3-(3-chlorophenyl)phenyl]-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-phenylethyl)urea;2-amino-5-[3-(5-cyclopropyl-3-pyridinyl)phenyl]-3-methyl-5-phenylimidazol-4-one;2-amino-5,5-diphenyl-3-[[1-(3-phenylpropanoyl)piperidin-4-yl]methyl]imidazol-4-one;(6S)-2-amino-6-[2-(3-methoxyphenyl)-4-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one

C118H135ClN20O8 — CID 157428429

About (6S)-2-amino-6-[3-(3-chlorophenyl)phenyl]-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-phenylethyl)urea;2-amino-5-[3-(5-cyclopropyl-3-pyridinyl)phenyl]-3-methyl-5-phenylimidazol-4-one;2-amino-5,5-diphenyl-3-[[1-(3-phenylpropanoyl)piperidin-4-yl]methyl]imidazol-4-one;(6S)-2-amino-6-[2-(3-methoxyphenyl)-4-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one

(6S)-2-amino-6-[3-(3-chlorophenyl)phenyl]-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-phenylethyl)urea;2-amino-5-[3-(5-cyclopropyl-3-pyridinyl)phenyl]-3-methyl-5-phenylimidazol-4-one;2-amino-5,5-diphenyl-3-[[1-(3-phenylpropanoyl)piperidin-4-yl]methyl]imidazol-4-one;(6S)-2-amino-6-[2-(3-methoxyphenyl)-4-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one (PubChem CID 157428429) has the molecular formula C118H135ClN20O8 and a molecular weight of 1996.96 g/mol. Its IUPAC name is (6S)-2-amino-6-[3-(3-chlorophenyl)phenyl]-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-phenylethyl)urea;2-amino-5-[3-(5-cyclopropyl-3-pyridinyl)phenyl]-3-methyl-5-phenylimidazol-4-one;2-amino-5,5-diphenyl-3-[[1-(3-phenylpropanoyl)piperidin-4-yl]methyl]imidazol-4-one;(6S)-2-amino-6-[2-(3-methoxyphenyl)-4-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one.

Molecular Properties

• Compound Name: (6S)-2-amino-6-[3-(3-chlorophenyl)phenyl]-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-phenylethyl)urea;2-amino-5-[3-(5-cyclopropyl-3-pyridinyl)phenyl]-3-methyl-5-phenylimidazol-4-one;2-amino-5,5-diphenyl-3-[[1-(3-phenylpropanoyl)piperidin-4-yl]methyl]imidazol-4-one;(6S)-2-amino-6-[2-(3-methoxyphenyl)-4-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one
• PubChem CID: 157428429
• Molecular Formula: C118H135ClN20O8
• Molecular Weight: 1996.96 g/mol
• Exact Mass: 1995.05
• IUPAC Name: (6S)-2-amino-6-[3-(3-chlorophenyl)phenyl]-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-phenylethyl)urea;2-amino-5-[3-(5-cyclopropyl-3-pyridinyl)phenyl]-3-methyl-5-phenylimidazol-4-one;2-amino-5,5-diphenyl-3-[[1-(3-phenylpropanoyl)piperidin-4-yl]methyl]imidazol-4-one;(6S)-2-amino-6-[2-(3-methoxyphenyl)-4-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one
• SMILES: CN1C(=O)C(c2ccccc2)(c2cccc(-c3cncc(C4CC4)c3)c2)N=C1N.CN1C(=O)C[C@@](C)(c2cccc(-c3cccc(Cl)c3)c2)N=C1N.CN1C(=O)[C@@](CCC2CCCCC2)(C[C@H]2CCC[C@@H](NC(=O)NCCc3ccccc3)C2)N=C1N.COc1cccc(-c2cc([C@]3(C)CC(=O)N(C)C(N)=N3)ccn2)c1.NC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1CC1CCN(C(=O)CCc2ccccc2)CC1
• InChI: InChI=1S/C30H32N4O2.C28H43N5O2.C24H22N4O.C18H18ClN3O.C18H20N4O2/c31-29-32-30(25-12-6-2-7-13-25,26-14-8-3-9-15-26)28(36)34(29)22-24-18-20-33(21-19-24)27(35)17-16-23-10-4-1-5-11-23;1-33-25(34)28(32-26(33)29,17-15-21-9-4-2-5-10-21)20-23-13-8-14-24(19-23)31-27(35)30-18-16-22-11-6-3-7-12-22;1-28-22(29)24(27-23(28)25,20-7-3-2-4-8-20)21-9-5-6-17(13-21)19-12-18(14-26-15-19)16-10-11-16;1-18(11-16(23)22(2)17(20)21-18)14-7-3-5-12(9-14)13-6-4-8-15(19)10-13;1-18(11-16(23)22(2)17(19)21-18)13-7-8-20-15(10-13)12-5-4-6-14(9-12)24-3/h1-15,24H,16-22H2,(H2,31,32);3,6-7,11-12,21,23-24H,2,4-5,8-10,13-20H2,1H3,(H2,29,32)(H2,30,31,35);2-9,12-16H,10-11H2,1H3,(H2,25,27);3-10H,11H2,1-2H3,(H2,20,21);4-10H,11H2,1-3H3,(H2,19,21)/t;23-,24+,28+;;2*18-/m.0.00/s1
• InChIKey: BQFXAWUSUXBPBG-MBZISIMESA-N
• XLogP: 17.53
• TPSA: 389.90 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 20
• Rotatable Bonds: 25
• Heavy Atoms: 147
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1996.96
LogP ≤ 5	17.53
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of (6S)-2-amino-6-[3-(3-chlorophenyl)phenyl]-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-phenylethyl)urea;2-amino-5-[3-(5-cyclopropyl-3-pyridinyl)phenyl]-3-methyl-5-phenylimidazol-4-one;2-amino-5,5-diphenyl-3-[[1-(3-phenylpropanoyl)piperidin-4-yl]methyl]imidazol-4-one;(6S)-2-amino-6-[2-(3-methoxyphenyl)-4-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one?

The IUPAC name of (6S)-2-amino-6-[3-(3-chlorophenyl)phenyl]-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-phenylethyl)urea;2-amino-5-[3-(5-cyclopropyl-3-pyridinyl)phenyl]-3-methyl-5-phenylimidazol-4-one;2-amino-5,5-diphenyl-3-[[1-(3-phenylpropanoyl)piperidin-4-yl]methyl]imidazol-4-one;(6S)-2-amino-6-[2-(3-methoxyphenyl)-4-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one (CID 157428429) is (6S)-2-amino-6-[3-(3-chlorophenyl)phenyl]-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-phenylethyl)urea;2-amino-5-[3-(5-cyclopropyl-3-pyridinyl)phenyl]-3-methyl-5-phenylimidazol-4-one;2-amino-5,5-diphenyl-3-[[1-(3-phenylpropanoyl)piperidin-4-yl]methyl]imidazol-4-one;(6S)-2-amino-6-[2-(3-methoxyphenyl)-4-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one.

What is the SMILES notation for (6S)-2-amino-6-[3-(3-chlorophenyl)phenyl]-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-phenylethyl)urea;2-amino-5-[3-(5-cyclopropyl-3-pyridinyl)phenyl]-3-methyl-5-phenylimidazol-4-one;2-amino-5,5-diphenyl-3-[[1-(3-phenylpropanoyl)piperidin-4-yl]methyl]imidazol-4-one;(6S)-2-amino-6-[2-(3-methoxyphenyl)-4-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one?

The canonical SMILES for (6S)-2-amino-6-[3-(3-chlorophenyl)phenyl]-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-phenylethyl)urea;2-amino-5-[3-(5-cyclopropyl-3-pyridinyl)phenyl]-3-methyl-5-phenylimidazol-4-one;2-amino-5,5-diphenyl-3-[[1-(3-phenylpropanoyl)piperidin-4-yl]methyl]imidazol-4-one;(6S)-2-amino-6-[2-(3-methoxyphenyl)-4-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one is CN1C(=O)C(c2ccccc2)(c2cccc(-c3cncc(C4CC4)c3)c2)N=C1N.CN1C(=O)C[C@@](C)(c2cccc(-c3cccc(Cl)c3)c2)N=C1N.CN1C(=O)[C@@](CCC2CCCCC2)(C[C@H]2CCC[C@@H](NC(=O)NCCc3ccccc3)C2)N=C1N.COc1cccc(-c2cc([C@]3(C)CC(=O)N(C)C(N)=N3)ccn2)c1.NC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1CC1CCN(C(=O)CCc2ccccc2)CC1.

What is the InChIKey of (6S)-2-amino-6-[3-(3-chlorophenyl)phenyl]-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-phenylethyl)urea;2-amino-5-[3-(5-cyclopropyl-3-pyridinyl)phenyl]-3-methyl-5-phenylimidazol-4-one;2-amino-5,5-diphenyl-3-[[1-(3-phenylpropanoyl)piperidin-4-yl]methyl]imidazol-4-one;(6S)-2-amino-6-[2-(3-methoxyphenyl)-4-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one?

The InChIKey is BQFXAWUSUXBPBG-MBZISIMESA-N. The full InChI is InChI=1S/C30H32N4O2.C28H43N5O2.C24H22N4O.C18H18ClN3O.C18H20N4O2/c31-29-32-30(25-12-6-2-7-13-25,26-14-8-3-9-15-26)28(36)34(29)22-24-18-20-33(21-19-24)27(35)17-16-23-10-4-1-5-11-23;1-33-25(34)28(32-26(33)29,17-15-21-9-4-2-5-10-21)20-23-13-8-14-24(19-23)31-27(35)30-18-16-22-11-6-3-7-12-22;1-28-22(29)24(27-23(28)25,20-7-3-2-4-8-20)21-9-5-6-17(13-21)19-12-18(14-26-15-19)16-10-11-16;1-18(11-16(23)22(2)17(20)21-18)14-7-3-5-12(9-14)13-6-4-8-15(19)10-13;1-18(11-16(23)22(2)17(19)21-18)13-7-8-20-15(10-13)12-5-4-6-14(9-12)24-3/h1-15,24H,16-22H2,(H2,31,32);3,6-7,11-12,21,23-24H,2,4-5,8-10,13-20H2,1H3,(H2,29,32)(H2,30,31,35);2-9,12-16H,10-11H2,1H3,(H2,25,27);3-10H,11H2,1-2H3,(H2,20,21);4-10H,11H2,1-3H3,(H2,19,21)/t;23-,24+,28+;;2*18-/m.0.00/s1.

What are the key properties of (6S)-2-amino-6-[3-(3-chlorophenyl)phenyl]-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-phenylethyl)urea;2-amino-5-[3-(5-cyclopropyl-3-pyridinyl)phenyl]-3-methyl-5-phenylimidazol-4-one;2-amino-5,5-diphenyl-3-[[1-(3-phenylpropanoyl)piperidin-4-yl]methyl]imidazol-4-one;(6S)-2-amino-6-[2-(3-methoxyphenyl)-4-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one?

(6S)-2-amino-6-[3-(3-chlorophenyl)phenyl]-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-phenylethyl)urea;2-amino-5-[3-(5-cyclopropyl-3-pyridinyl)phenyl]-3-methyl-5-phenylimidazol-4-one;2-amino-5,5-diphenyl-3-[[1-(3-phenylpropanoyl)piperidin-4-yl]methyl]imidazol-4-one;(6S)-2-amino-6-[2-(3-methoxyphenyl)-4-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one has a molecular weight of 1996.96 g/mol, XLogP of 17.53, 25 rotatable bonds, 7 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for (6S)-2-amino-6-[3-(3-chlorophenyl)phenyl]-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-phenylethyl)urea;2-amino-5-[3-(5-cyclopropyl-3-pyridinyl)phenyl]-3-methyl-5-phenylimidazol-4-one;2-amino-5,5-diphenyl-3-[[1-(3-phenylpropanoyl)piperidin-4-yl]methyl]imidazol-4-one;(6S)-2-amino-6-[2-(3-methoxyphenyl)-4-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one is sourced from PubChem (CID 157428429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).