(6S)-2-amino-5-(1-benzofuran-5-yl)-6-[4-(2-chloropyrimidin-5-yl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;5-[(4S)-2-amino-5-(4-cyclobutylphenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophene-2-carbonitrile;N-[[2-[3-(2-amino-1,4-dimethyl-5-oxoimidazol-4-yl)phenyl]phenyl]methyl]-2-methoxybenzamide;(6S)-2-amino-3,6-dimethyl-6-(2-propylindazol-6-yl)-5H-pyrimidin-4-one;1-[4-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)butyl]-3-(2-methoxyphenyl)urea

C112H116ClN23O10S2 — CID 159518776

About (6S)-2-amino-5-(1-benzofuran-5-yl)-6-[4-(2-chloropyrimidin-5-yl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;5-[(4S)-2-amino-5-(4-cyclobutylphenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophene-2-carbonitrile;N-[[2-[3-(2-amino-1,4-dimethyl-5-oxoimidazol-4-yl)phenyl]phenyl]methyl]-2-methoxybenzamide;(6S)-2-amino-3,6-dimethyl-6-(2-propylindazol-6-yl)-5H-pyrimidin-4-one;1-[4-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)butyl]-3-(2-methoxyphenyl)urea

(6S)-2-amino-5-(1-benzofuran-5-yl)-6-[4-(2-chloropyrimidin-5-yl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;5-[(4S)-2-amino-5-(4-cyclobutylphenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophene-2-carbonitrile;N-[[2-[3-(2-amino-1,4-dimethyl-5-oxoimidazol-4-yl)phenyl]phenyl]methyl]-2-methoxybenzamide;(6S)-2-amino-3,6-dimethyl-6-(2-propylindazol-6-yl)-5H-pyrimidin-4-one;1-[4-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)butyl]-3-(2-methoxyphenyl)urea (PubChem CID 159518776) has the molecular formula C112H116ClN23O10S2 and a molecular weight of 2043.90 g/mol. Its IUPAC name is (6S)-2-amino-5-(1-benzofuran-5-yl)-6-[4-(2-chloropyrimidin-5-yl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;5-[(4S)-2-amino-5-(4-cyclobutylphenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophene-2-carbonitrile;N-[[2-[3-(2-amino-1,4-dimethyl-5-oxoimidazol-4-yl)phenyl]phenyl]methyl]-2-methoxybenzamide;(6S)-2-amino-3,6-dimethyl-6-(2-propylindazol-6-yl)-5H-pyrimidin-4-one;1-[4-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)butyl]-3-(2-methoxyphenyl)urea.

Molecular Properties

• Compound Name: (6S)-2-amino-5-(1-benzofuran-5-yl)-6-[4-(2-chloropyrimidin-5-yl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;5-[(4S)-2-amino-5-(4-cyclobutylphenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophene-2-carbonitrile;N-[[2-[3-(2-amino-1,4-dimethyl-5-oxoimidazol-4-yl)phenyl]phenyl]methyl]-2-methoxybenzamide;(6S)-2-amino-3,6-dimethyl-6-(2-propylindazol-6-yl)-5H-pyrimidin-4-one;1-[4-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)butyl]-3-(2-methoxyphenyl)urea
• PubChem CID: 159518776
• Molecular Formula: C112H116ClN23O10S2
• Molecular Weight: 2043.90 g/mol
• Exact Mass: 2041.84
• IUPAC Name: (6S)-2-amino-5-(1-benzofuran-5-yl)-6-[4-(2-chloropyrimidin-5-yl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;5-[(4S)-2-amino-5-(4-cyclobutylphenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophene-2-carbonitrile;N-[[2-[3-(2-amino-1,4-dimethyl-5-oxoimidazol-4-yl)phenyl]phenyl]methyl]-2-methoxybenzamide;(6S)-2-amino-3,6-dimethyl-6-(2-propylindazol-6-yl)-5H-pyrimidin-4-one;1-[4-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)butyl]-3-(2-methoxyphenyl)urea
• SMILES: CCCn1cc2ccc([C@]3(C)CC(=O)N(C)C(N)=N3)cc2n1.CN1C(=O)C(c2ccc(C3CCC3)cc2)[C@@](C)(c2ccc(C#N)s2)N=C1N.CN1C(=O)C(c2ccc3occc3c2)[C@@](C)(c2cc(-c3cnc(Cl)nc3)cs2)N=C1N.COc1ccccc1C(=O)NCc1ccccc1-c1cccc(C2(C)N=C(N)N(C)C2=O)c1.COc1ccccc1NC(=O)NCCCCN1C(=O)C(c2ccccc2)(c2ccccc2)N=C1N
• InChI: InChI=1S/C27H29N5O3.C26H26N4O3.C22H18ClN5O2S.C21H22N4OS.C16H21N5O/c1-35-23-17-9-8-16-22(23)30-26(34)29-18-10-11-19-32-24(33)27(31-25(32)28,20-12-4-2-5-13-20)21-14-6-3-7-15-21;1-26(24(32)30(2)25(27)29-26)19-11-8-10-17(15-19)20-12-5-4-9-18(20)16-28-23(31)21-13-6-7-14-22(21)33-3;1-22(17-8-14(11-31-17)15-9-25-20(23)26-10-15)18(19(29)28(2)21(24)27-22)13-3-4-16-12(7-13)5-6-30-16;1-21(17-11-10-16(12-22)27-17)18(19(26)25(2)20(23)24-21)15-8-6-14(7-9-15)13-4-3-5-13;1-4-7-21-10-11-5-6-12(8-13(11)19-21)16(2)9-14(22)20(3)15(17)18-16/h2-9,12-17H,10-11,18-19H2,1H3,(H2,28,31)(H2,29,30,34);4-15H,16H2,1-3H3,(H2,27,29)(H,28,31);3-11,18H,1-2H3,(H2,24,27);6-11,13,18H,3-5H2,1-2H3,(H2,23,24);5-6,8,10H,4,7,9H2,1-3H3,(H2,17,18)/t;;18?,22-;18?,21-;16-/m..110/s1
• InChIKey: MBNRKCWLGCCFGK-AUBOXDFSSA-N
• XLogP: 16.89
• TPSA: 462.67 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 27
• Rotatable Bonds: 24
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2043.90
LogP ≤ 5	16.89
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (6S)-2-amino-5-(1-benzofuran-5-yl)-6-[4-(2-chloropyrimidin-5-yl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;5-[(4S)-2-amino-5-(4-cyclobutylphenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophene-2-carbonitrile;N-[[2-[3-(2-amino-1,4-dimethyl-5-oxoimidazol-4-yl)phenyl]phenyl]methyl]-2-methoxybenzamide;(6S)-2-amino-3,6-dimethyl-6-(2-propylindazol-6-yl)-5H-pyrimidin-4-one;1-[4-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)butyl]-3-(2-methoxyphenyl)urea?

The IUPAC name of (6S)-2-amino-5-(1-benzofuran-5-yl)-6-[4-(2-chloropyrimidin-5-yl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;5-[(4S)-2-amino-5-(4-cyclobutylphenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophene-2-carbonitrile;N-[[2-[3-(2-amino-1,4-dimethyl-5-oxoimidazol-4-yl)phenyl]phenyl]methyl]-2-methoxybenzamide;(6S)-2-amino-3,6-dimethyl-6-(2-propylindazol-6-yl)-5H-pyrimidin-4-one;1-[4-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)butyl]-3-(2-methoxyphenyl)urea (CID 159518776) is (6S)-2-amino-5-(1-benzofuran-5-yl)-6-[4-(2-chloropyrimidin-5-yl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;5-[(4S)-2-amino-5-(4-cyclobutylphenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophene-2-carbonitrile;N-[[2-[3-(2-amino-1,4-dimethyl-5-oxoimidazol-4-yl)phenyl]phenyl]methyl]-2-methoxybenzamide;(6S)-2-amino-3,6-dimethyl-6-(2-propylindazol-6-yl)-5H-pyrimidin-4-one;1-[4-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)butyl]-3-(2-methoxyphenyl)urea.

What is the SMILES notation for (6S)-2-amino-5-(1-benzofuran-5-yl)-6-[4-(2-chloropyrimidin-5-yl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;5-[(4S)-2-amino-5-(4-cyclobutylphenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophene-2-carbonitrile;N-[[2-[3-(2-amino-1,4-dimethyl-5-oxoimidazol-4-yl)phenyl]phenyl]methyl]-2-methoxybenzamide;(6S)-2-amino-3,6-dimethyl-6-(2-propylindazol-6-yl)-5H-pyrimidin-4-one;1-[4-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)butyl]-3-(2-methoxyphenyl)urea?

The canonical SMILES for (6S)-2-amino-5-(1-benzofuran-5-yl)-6-[4-(2-chloropyrimidin-5-yl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;5-[(4S)-2-amino-5-(4-cyclobutylphenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophene-2-carbonitrile;N-[[2-[3-(2-amino-1,4-dimethyl-5-oxoimidazol-4-yl)phenyl]phenyl]methyl]-2-methoxybenzamide;(6S)-2-amino-3,6-dimethyl-6-(2-propylindazol-6-yl)-5H-pyrimidin-4-one;1-[4-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)butyl]-3-(2-methoxyphenyl)urea is CCCn1cc2ccc([C@]3(C)CC(=O)N(C)C(N)=N3)cc2n1.CN1C(=O)C(c2ccc(C3CCC3)cc2)[C@@](C)(c2ccc(C#N)s2)N=C1N.CN1C(=O)C(c2ccc3occc3c2)[C@@](C)(c2cc(-c3cnc(Cl)nc3)cs2)N=C1N.COc1ccccc1C(=O)NCc1ccccc1-c1cccc(C2(C)N=C(N)N(C)C2=O)c1.COc1ccccc1NC(=O)NCCCCN1C(=O)C(c2ccccc2)(c2ccccc2)N=C1N.

What is the InChIKey of (6S)-2-amino-5-(1-benzofuran-5-yl)-6-[4-(2-chloropyrimidin-5-yl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;5-[(4S)-2-amino-5-(4-cyclobutylphenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophene-2-carbonitrile;N-[[2-[3-(2-amino-1,4-dimethyl-5-oxoimidazol-4-yl)phenyl]phenyl]methyl]-2-methoxybenzamide;(6S)-2-amino-3,6-dimethyl-6-(2-propylindazol-6-yl)-5H-pyrimidin-4-one;1-[4-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)butyl]-3-(2-methoxyphenyl)urea?

The InChIKey is MBNRKCWLGCCFGK-AUBOXDFSSA-N. The full InChI is InChI=1S/C27H29N5O3.C26H26N4O3.C22H18ClN5O2S.C21H22N4OS.C16H21N5O/c1-35-23-17-9-8-16-22(23)30-26(34)29-18-10-11-19-32-24(33)27(31-25(32)28,20-12-4-2-5-13-20)21-14-6-3-7-15-21;1-26(24(32)30(2)25(27)29-26)19-11-8-10-17(15-19)20-12-5-4-9-18(20)16-28-23(31)21-13-6-7-14-22(21)33-3;1-22(17-8-14(11-31-17)15-9-25-20(23)26-10-15)18(19(29)28(2)21(24)27-22)13-3-4-16-12(7-13)5-6-30-16;1-21(17-11-10-16(12-22)27-17)18(19(26)25(2)20(23)24-21)15-8-6-14(7-9-15)13-4-3-5-13;1-4-7-21-10-11-5-6-12(8-13(11)19-21)16(2)9-14(22)20(3)15(17)18-16/h2-9,12-17H,10-11,18-19H2,1H3,(H2,28,31)(H2,29,30,34);4-15H,16H2,1-3H3,(H2,27,29)(H,28,31);3-11,18H,1-2H3,(H2,24,27);6-11,13,18H,3-5H2,1-2H3,(H2,23,24);5-6,8,10H,4,7,9H2,1-3H3,(H2,17,18)/t;;18?,22-;18?,21-;16-/m..110/s1.

What are the key properties of (6S)-2-amino-5-(1-benzofuran-5-yl)-6-[4-(2-chloropyrimidin-5-yl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;5-[(4S)-2-amino-5-(4-cyclobutylphenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophene-2-carbonitrile;N-[[2-[3-(2-amino-1,4-dimethyl-5-oxoimidazol-4-yl)phenyl]phenyl]methyl]-2-methoxybenzamide;(6S)-2-amino-3,6-dimethyl-6-(2-propylindazol-6-yl)-5H-pyrimidin-4-one;1-[4-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)butyl]-3-(2-methoxyphenyl)urea?

(6S)-2-amino-5-(1-benzofuran-5-yl)-6-[4-(2-chloropyrimidin-5-yl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;5-[(4S)-2-amino-5-(4-cyclobutylphenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophene-2-carbonitrile;N-[[2-[3-(2-amino-1,4-dimethyl-5-oxoimidazol-4-yl)phenyl]phenyl]methyl]-2-methoxybenzamide;(6S)-2-amino-3,6-dimethyl-6-(2-propylindazol-6-yl)-5H-pyrimidin-4-one;1-[4-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)butyl]-3-(2-methoxyphenyl)urea has a molecular weight of 2043.90 g/mol, XLogP of 16.89, 24 rotatable bonds, 8 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for (6S)-2-amino-5-(1-benzofuran-5-yl)-6-[4-(2-chloropyrimidin-5-yl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;5-[(4S)-2-amino-5-(4-cyclobutylphenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophene-2-carbonitrile;N-[[2-[3-(2-amino-1,4-dimethyl-5-oxoimidazol-4-yl)phenyl]phenyl]methyl]-2-methoxybenzamide;(6S)-2-amino-3,6-dimethyl-6-(2-propylindazol-6-yl)-5H-pyrimidin-4-one;1-[4-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)butyl]-3-(2-methoxyphenyl)urea is sourced from PubChem (CID 159518776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).