2-amino-6-[3-(1,3-benzodioxol-5-yl)phenyl]-3-methyl-6-phenyl-5H-pyrimidin-4-one;5-[5-[(4S)-2-amino-5-(1-benzofuran-6-yl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]pyridine-3-carbonitrile;3-[[2-amino-4-(3-bromophenyl)-4-methyl-5-oxoimidazol-1-yl]methyl]-N,N-dipropylbenzamide;(5R)-2-amino-5-[(3R)-1-(3-chlorophenyl)piperidin-3-yl]-3,5-dimethylimidazol-4-one;(6S)-2-amino-6-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-3,6-dimethyl-5H-pyrimidin-4-one

C107H118BrClN20O10S — CID 158151039

About 2-amino-6-[3-(1,3-benzodioxol-5-yl)phenyl]-3-methyl-6-phenyl-5H-pyrimidin-4-one;5-[5-[(4S)-2-amino-5-(1-benzofuran-6-yl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]pyridine-3-carbonitrile;3-[[2-amino-4-(3-bromophenyl)-4-methyl-5-oxoimidazol-1-yl]methyl]-N,N-dipropylbenzamide;(5R)-2-amino-5-[(3R)-1-(3-chlorophenyl)piperidin-3-yl]-3,5-dimethylimidazol-4-one;(6S)-2-amino-6-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-3,6-dimethyl-5H-pyrimidin-4-one

2-amino-6-[3-(1,3-benzodioxol-5-yl)phenyl]-3-methyl-6-phenyl-5H-pyrimidin-4-one;5-[5-[(4S)-2-amino-5-(1-benzofuran-6-yl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]pyridine-3-carbonitrile;3-[[2-amino-4-(3-bromophenyl)-4-methyl-5-oxoimidazol-1-yl]methyl]-N,N-dipropylbenzamide;(5R)-2-amino-5-[(3R)-1-(3-chlorophenyl)piperidin-3-yl]-3,5-dimethylimidazol-4-one;(6S)-2-amino-6-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-3,6-dimethyl-5H-pyrimidin-4-one (PubChem CID 158151039) has the molecular formula C107H118BrClN20O10S and a molecular weight of 1991.67 g/mol. Its IUPAC name is 2-amino-6-[3-(1,3-benzodioxol-5-yl)phenyl]-3-methyl-6-phenyl-5H-pyrimidin-4-one;5-[5-[(4S)-2-amino-5-(1-benzofuran-6-yl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]pyridine-3-carbonitrile;3-[[2-amino-4-(3-bromophenyl)-4-methyl-5-oxoimidazol-1-yl]methyl]-N,N-dipropylbenzamide;(5R)-2-amino-5-[(3R)-1-(3-chlorophenyl)piperidin-3-yl]-3,5-dimethylimidazol-4-one;(6S)-2-amino-6-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-3,6-dimethyl-5H-pyrimidin-4-one.

Molecular Properties

• Compound Name: 2-amino-6-[3-(1,3-benzodioxol-5-yl)phenyl]-3-methyl-6-phenyl-5H-pyrimidin-4-one;5-[5-[(4S)-2-amino-5-(1-benzofuran-6-yl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]pyridine-3-carbonitrile;3-[[2-amino-4-(3-bromophenyl)-4-methyl-5-oxoimidazol-1-yl]methyl]-N,N-dipropylbenzamide;(5R)-2-amino-5-[(3R)-1-(3-chlorophenyl)piperidin-3-yl]-3,5-dimethylimidazol-4-one;(6S)-2-amino-6-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-3,6-dimethyl-5H-pyrimidin-4-one
• PubChem CID: 158151039
• Molecular Formula: C107H118BrClN20O10S
• Molecular Weight: 1991.67 g/mol
• Exact Mass: 1988.79
• IUPAC Name: 2-amino-6-[3-(1,3-benzodioxol-5-yl)phenyl]-3-methyl-6-phenyl-5H-pyrimidin-4-one;5-[5-[(4S)-2-amino-5-(1-benzofuran-6-yl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]pyridine-3-carbonitrile;3-[[2-amino-4-(3-bromophenyl)-4-methyl-5-oxoimidazol-1-yl]methyl]-N,N-dipropylbenzamide;(5R)-2-amino-5-[(3R)-1-(3-chlorophenyl)piperidin-3-yl]-3,5-dimethylimidazol-4-one;(6S)-2-amino-6-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-3,6-dimethyl-5H-pyrimidin-4-one
• SMILES: CCCN(CCC)C(=O)c1cccc(CN2C(=O)C(C)(c3cccc(Br)c3)N=C2N)c1.CN1C(=O)C(c2ccc3ccoc3c2)[C@@](C)(c2cc(-c3cncc(C#N)c3)cs2)N=C1N.CN1C(=O)CC(c2ccccc2)(c2cccc(-c3ccc4c(c3)OCO4)c2)N=C1N.CN1C(=O)[C@@](C)([C@@H]2CCCN(c3cccc(Cl)c3)C2)N=C1N.COc1cccc(CN2CCCC([C@]3(C)CC(=O)N(C)C(N)=N3)C2)c1
• InChI: InChI=1S/C24H29BrN4O2.C24H19N5O2S.C24H21N3O3.C19H28N4O2.C16H21ClN4O/c1-4-12-28(13-5-2)21(30)18-9-6-8-17(14-18)16-29-22(31)24(3,27-23(29)26)19-10-7-11-20(25)15-19;1-24(20-9-18(13-32-20)17-7-14(10-25)11-27-12-17)21(22(30)29(2)23(26)28-24)16-4-3-15-5-6-31-19(15)8-16;1-27-22(28)14-24(26-23(27)25,18-7-3-2-4-8-18)19-9-5-6-16(12-19)17-10-11-20-21(13-17)30-15-29-20;1-19(11-17(24)22(2)18(20)21-19)15-7-5-9-23(13-15)12-14-6-4-8-16(10-14)25-3;1-16(14(22)20(2)15(18)19-16)11-5-4-8-21(10-11)13-7-3-6-12(17)9-13/h6-11,14-15H,4-5,12-13,16H2,1-3H3,(H2,26,27);3-9,11-13,21H,1-2H3,(H2,26,28);2-13H,14-15H2,1H3,(H2,25,26);4,6,8,10,15H,5,7,9,11-13H2,1-3H3,(H2,20,21);3,6-7,9,11H,4-5,8,10H2,1-2H3,(H2,18,19)/t;21?,24-;;15?,19-;11-,16-/m.1.01/s1
• InChIKey: FVCPRXGEBQPKHS-AOZUITOXSA-N
• XLogP: 15.94
• TPSA: 397.75 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 25
• Rotatable Bonds: 20
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1991.67
LogP ≤ 5	15.94
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[3-(1,3-benzodioxol-5-yl)phenyl]-3-methyl-6-phenyl-5H-pyrimidin-4-one;5-[5-[(4S)-2-amino-5-(1-benzofuran-6-yl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]pyridine-3-carbonitrile;3-[[2-amino-4-(3-bromophenyl)-4-methyl-5-oxoimidazol-1-yl]methyl]-N,N-dipropylbenzamide;(5R)-2-amino-5-[(3R)-1-(3-chlorophenyl)piperidin-3-yl]-3,5-dimethylimidazol-4-one;(6S)-2-amino-6-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-3,6-dimethyl-5H-pyrimidin-4-one?

The IUPAC name of 2-amino-6-[3-(1,3-benzodioxol-5-yl)phenyl]-3-methyl-6-phenyl-5H-pyrimidin-4-one;5-[5-[(4S)-2-amino-5-(1-benzofuran-6-yl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]pyridine-3-carbonitrile;3-[[2-amino-4-(3-bromophenyl)-4-methyl-5-oxoimidazol-1-yl]methyl]-N,N-dipropylbenzamide;(5R)-2-amino-5-[(3R)-1-(3-chlorophenyl)piperidin-3-yl]-3,5-dimethylimidazol-4-one;(6S)-2-amino-6-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-3,6-dimethyl-5H-pyrimidin-4-one (CID 158151039) is 2-amino-6-[3-(1,3-benzodioxol-5-yl)phenyl]-3-methyl-6-phenyl-5H-pyrimidin-4-one;5-[5-[(4S)-2-amino-5-(1-benzofuran-6-yl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]pyridine-3-carbonitrile;3-[[2-amino-4-(3-bromophenyl)-4-methyl-5-oxoimidazol-1-yl]methyl]-N,N-dipropylbenzamide;(5R)-2-amino-5-[(3R)-1-(3-chlorophenyl)piperidin-3-yl]-3,5-dimethylimidazol-4-one;(6S)-2-amino-6-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-3,6-dimethyl-5H-pyrimidin-4-one.

What is the SMILES notation for 2-amino-6-[3-(1,3-benzodioxol-5-yl)phenyl]-3-methyl-6-phenyl-5H-pyrimidin-4-one;5-[5-[(4S)-2-amino-5-(1-benzofuran-6-yl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]pyridine-3-carbonitrile;3-[[2-amino-4-(3-bromophenyl)-4-methyl-5-oxoimidazol-1-yl]methyl]-N,N-dipropylbenzamide;(5R)-2-amino-5-[(3R)-1-(3-chlorophenyl)piperidin-3-yl]-3,5-dimethylimidazol-4-one;(6S)-2-amino-6-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-3,6-dimethyl-5H-pyrimidin-4-one?

The canonical SMILES for 2-amino-6-[3-(1,3-benzodioxol-5-yl)phenyl]-3-methyl-6-phenyl-5H-pyrimidin-4-one;5-[5-[(4S)-2-amino-5-(1-benzofuran-6-yl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]pyridine-3-carbonitrile;3-[[2-amino-4-(3-bromophenyl)-4-methyl-5-oxoimidazol-1-yl]methyl]-N,N-dipropylbenzamide;(5R)-2-amino-5-[(3R)-1-(3-chlorophenyl)piperidin-3-yl]-3,5-dimethylimidazol-4-one;(6S)-2-amino-6-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-3,6-dimethyl-5H-pyrimidin-4-one is CCCN(CCC)C(=O)c1cccc(CN2C(=O)C(C)(c3cccc(Br)c3)N=C2N)c1.CN1C(=O)C(c2ccc3ccoc3c2)[C@@](C)(c2cc(-c3cncc(C#N)c3)cs2)N=C1N.CN1C(=O)CC(c2ccccc2)(c2cccc(-c3ccc4c(c3)OCO4)c2)N=C1N.CN1C(=O)[C@@](C)([C@@H]2CCCN(c3cccc(Cl)c3)C2)N=C1N.COc1cccc(CN2CCCC([C@]3(C)CC(=O)N(C)C(N)=N3)C2)c1.

What is the InChIKey of 2-amino-6-[3-(1,3-benzodioxol-5-yl)phenyl]-3-methyl-6-phenyl-5H-pyrimidin-4-one;5-[5-[(4S)-2-amino-5-(1-benzofuran-6-yl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]pyridine-3-carbonitrile;3-[[2-amino-4-(3-bromophenyl)-4-methyl-5-oxoimidazol-1-yl]methyl]-N,N-dipropylbenzamide;(5R)-2-amino-5-[(3R)-1-(3-chlorophenyl)piperidin-3-yl]-3,5-dimethylimidazol-4-one;(6S)-2-amino-6-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-3,6-dimethyl-5H-pyrimidin-4-one?

The InChIKey is FVCPRXGEBQPKHS-AOZUITOXSA-N. The full InChI is InChI=1S/C24H29BrN4O2.C24H19N5O2S.C24H21N3O3.C19H28N4O2.C16H21ClN4O/c1-4-12-28(13-5-2)21(30)18-9-6-8-17(14-18)16-29-22(31)24(3,27-23(29)26)19-10-7-11-20(25)15-19;1-24(20-9-18(13-32-20)17-7-14(10-25)11-27-12-17)21(22(30)29(2)23(26)28-24)16-4-3-15-5-6-31-19(15)8-16;1-27-22(28)14-24(26-23(27)25,18-7-3-2-4-8-18)19-9-5-6-16(12-19)17-10-11-20-21(13-17)30-15-29-20;1-19(11-17(24)22(2)18(20)21-19)15-7-5-9-23(13-15)12-14-6-4-8-16(10-14)25-3;1-16(14(22)20(2)15(18)19-16)11-5-4-8-21(10-11)13-7-3-6-12(17)9-13/h6-11,14-15H,4-5,12-13,16H2,1-3H3,(H2,26,27);3-9,11-13,21H,1-2H3,(H2,26,28);2-13H,14-15H2,1H3,(H2,25,26);4,6,8,10,15H,5,7,9,11-13H2,1-3H3,(H2,20,21);3,6-7,9,11H,4-5,8,10H2,1-2H3,(H2,18,19)/t;21?,24-;;15?,19-;11-,16-/m.1.01/s1.

What are the key properties of 2-amino-6-[3-(1,3-benzodioxol-5-yl)phenyl]-3-methyl-6-phenyl-5H-pyrimidin-4-one;5-[5-[(4S)-2-amino-5-(1-benzofuran-6-yl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]pyridine-3-carbonitrile;3-[[2-amino-4-(3-bromophenyl)-4-methyl-5-oxoimidazol-1-yl]methyl]-N,N-dipropylbenzamide;(5R)-2-amino-5-[(3R)-1-(3-chlorophenyl)piperidin-3-yl]-3,5-dimethylimidazol-4-one;(6S)-2-amino-6-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-3,6-dimethyl-5H-pyrimidin-4-one?

2-amino-6-[3-(1,3-benzodioxol-5-yl)phenyl]-3-methyl-6-phenyl-5H-pyrimidin-4-one;5-[5-[(4S)-2-amino-5-(1-benzofuran-6-yl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]pyridine-3-carbonitrile;3-[[2-amino-4-(3-bromophenyl)-4-methyl-5-oxoimidazol-1-yl]methyl]-N,N-dipropylbenzamide;(5R)-2-amino-5-[(3R)-1-(3-chlorophenyl)piperidin-3-yl]-3,5-dimethylimidazol-4-one;(6S)-2-amino-6-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-3,6-dimethyl-5H-pyrimidin-4-one has a molecular weight of 1991.67 g/mol, XLogP of 15.94, 20 rotatable bonds, 5 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-6-[3-(1,3-benzodioxol-5-yl)phenyl]-3-methyl-6-phenyl-5H-pyrimidin-4-one;5-[5-[(4S)-2-amino-5-(1-benzofuran-6-yl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]pyridine-3-carbonitrile;3-[[2-amino-4-(3-bromophenyl)-4-methyl-5-oxoimidazol-1-yl]methyl]-N,N-dipropylbenzamide;(5R)-2-amino-5-[(3R)-1-(3-chlorophenyl)piperidin-3-yl]-3,5-dimethylimidazol-4-one;(6S)-2-amino-6-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-3,6-dimethyl-5H-pyrimidin-4-one is sourced from PubChem (CID 158151039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).