(6S)-2-amino-6-(1-benzothiophen-5-yl)-3-[2-(dimethylamino)ethyl]-6-methyl-5H-pyrimidin-4-one;2-amino-6-[5-(3-chlorophenyl)thiophen-2-yl]-6-cyclopropyl-3-methyl-5H-pyrimidin-4-one;4-[(4S,5R)-2-amino-5-(4-cyclopropylphenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]benzonitrile;(5R,6S)-2-amino-5-(4-cyclopropylphenyl)-6-[4-(2-fluoro-3-pyridinyl)-2-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one;5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophene-3-carbonitrile;2-amino-3-[2-(1-methylpyrrolidin-2-yl)ethyl]-5,5-diphenylimidazol-4-one

C115H124ClFN24O6S3 — CID 158780629

About (6S)-2-amino-6-(1-benzothiophen-5-yl)-3-[2-(dimethylamino)ethyl]-6-methyl-5H-pyrimidin-4-one;2-amino-6-[5-(3-chlorophenyl)thiophen-2-yl]-6-cyclopropyl-3-methyl-5H-pyrimidin-4-one;4-[(4S,5R)-2-amino-5-(4-cyclopropylphenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]benzonitrile;(5R,6S)-2-amino-5-(4-cyclopropylphenyl)-6-[4-(2-fluoro-3-pyridinyl)-2-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one;5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophene-3-carbonitrile;2-amino-3-[2-(1-methylpyrrolidin-2-yl)ethyl]-5,5-diphenylimidazol-4-one

(6S)-2-amino-6-(1-benzothiophen-5-yl)-3-[2-(dimethylamino)ethyl]-6-methyl-5H-pyrimidin-4-one;2-amino-6-[5-(3-chlorophenyl)thiophen-2-yl]-6-cyclopropyl-3-methyl-5H-pyrimidin-4-one;4-[(4S,5R)-2-amino-5-(4-cyclopropylphenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]benzonitrile;(5R,6S)-2-amino-5-(4-cyclopropylphenyl)-6-[4-(2-fluoro-3-pyridinyl)-2-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one;5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophene-3-carbonitrile;2-amino-3-[2-(1-methylpyrrolidin-2-yl)ethyl]-5,5-diphenylimidazol-4-one (PubChem CID 158780629) has the molecular formula C115H124ClFN24O6S3 and a molecular weight of 2089.07 g/mol. Its IUPAC name is (6S)-2-amino-6-(1-benzothiophen-5-yl)-3-[2-(dimethylamino)ethyl]-6-methyl-5H-pyrimidin-4-one;2-amino-6-[5-(3-chlorophenyl)thiophen-2-yl]-6-cyclopropyl-3-methyl-5H-pyrimidin-4-one;4-[(4S,5R)-2-amino-5-(4-cyclopropylphenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]benzonitrile;(5R,6S)-2-amino-5-(4-cyclopropylphenyl)-6-[4-(2-fluoro-3-pyridinyl)-2-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one;5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophene-3-carbonitrile;2-amino-3-[2-(1-methylpyrrolidin-2-yl)ethyl]-5,5-diphenylimidazol-4-one.

Molecular Properties

• Compound Name: (6S)-2-amino-6-(1-benzothiophen-5-yl)-3-[2-(dimethylamino)ethyl]-6-methyl-5H-pyrimidin-4-one;2-amino-6-[5-(3-chlorophenyl)thiophen-2-yl]-6-cyclopropyl-3-methyl-5H-pyrimidin-4-one;4-[(4S,5R)-2-amino-5-(4-cyclopropylphenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]benzonitrile;(5R,6S)-2-amino-5-(4-cyclopropylphenyl)-6-[4-(2-fluoro-3-pyridinyl)-2-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one;5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophene-3-carbonitrile;2-amino-3-[2-(1-methylpyrrolidin-2-yl)ethyl]-5,5-diphenylimidazol-4-one
• PubChem CID: 158780629
• Molecular Formula: C115H124ClFN24O6S3
• Molecular Weight: 2089.07 g/mol
• Exact Mass: 2086.90
• IUPAC Name: (6S)-2-amino-6-(1-benzothiophen-5-yl)-3-[2-(dimethylamino)ethyl]-6-methyl-5H-pyrimidin-4-one;2-amino-6-[5-(3-chlorophenyl)thiophen-2-yl]-6-cyclopropyl-3-methyl-5H-pyrimidin-4-one;4-[(4S,5R)-2-amino-5-(4-cyclopropylphenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]benzonitrile;(5R,6S)-2-amino-5-(4-cyclopropylphenyl)-6-[4-(2-fluoro-3-pyridinyl)-2-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one;5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophene-3-carbonitrile;2-amino-3-[2-(1-methylpyrrolidin-2-yl)ethyl]-5,5-diphenylimidazol-4-one
• SMILES: CN(C)CCN1C(=O)C[C@@](C)(c2ccc3sccc3c2)N=C1N.CN1C(=O)CC(c2ccc(-c3cccc(Cl)c3)s2)(C2CC2)N=C1N.CN1C(=O)C[C@@](C)(c2cc(C#N)cs2)N=C1N.CN1C(=O)[C@H](c2ccc(C3CC3)cc2)[C@@](C)(c2cc(-c3cccnc3F)ccn2)N=C1N.CN1C(=O)[C@H](c2ccc(C3CC3)cc2)[C@@](C)(c2ccc(C#N)cc2)N=C1N.CN1CCCC1CCN1C(=O)C(c2ccccc2)(c2ccccc2)N=C1N
• InChI: InChI=1S/C25H24FN5O.C22H22N4O.C22H26N4O.C18H18ClN3OS.C17H22N4OS.C11H12N4OS/c1-25(20-14-18(11-13-28-20)19-4-3-12-29-22(19)26)21(23(32)31(2)24(27)30-25)17-9-7-16(8-10-17)15-5-6-15;1-22(18-11-3-14(13-23)4-12-18)19(20(27)26(2)21(24)25-22)17-9-7-16(8-10-17)15-5-6-15;1-25-15-8-13-19(25)14-16-26-20(27)22(24-21(26)23,17-9-4-2-5-10-17)18-11-6-3-7-12-18;1-22-16(23)10-18(12-5-6-12,21-17(22)20)15-8-7-14(24-15)11-3-2-4-13(19)9-11;1-17(13-4-5-14-12(10-13)6-9-23-14)11-15(22)21(16(18)19-17)8-7-20(2)3;1-11(8-3-7(5-12)6-17-8)4-9(16)15(2)10(13)14-11/h3-4,7-15,21H,5-6H2,1-2H3,(H2,27,30);3-4,7-12,15,19H,5-6H2,1-2H3,(H2,24,25);2-7,9-12,19H,8,13-16H2,1H3,(H2,23,24);2-4,7-9,12H,5-6,10H2,1H3,(H2,20,21);4-6,9-10H,7-8,11H2,1-3H3,(H2,18,19);3,6H,4H2,1-2H3,(H2,13,14)/t21-,25+;19-,22+;;;17-;11-/m00..00/s1
• InChIKey: IRANAXVAFISOIN-YKZDFQGRSA-N
• XLogP: 16.83
• TPSA: 431.98 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 27
• Rotatable Bonds: 20
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2089.07
LogP ≤ 5	16.83
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (6S)-2-amino-6-(1-benzothiophen-5-yl)-3-[2-(dimethylamino)ethyl]-6-methyl-5H-pyrimidin-4-one;2-amino-6-[5-(3-chlorophenyl)thiophen-2-yl]-6-cyclopropyl-3-methyl-5H-pyrimidin-4-one;4-[(4S,5R)-2-amino-5-(4-cyclopropylphenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]benzonitrile;(5R,6S)-2-amino-5-(4-cyclopropylphenyl)-6-[4-(2-fluoro-3-pyridinyl)-2-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one;5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophene-3-carbonitrile;2-amino-3-[2-(1-methylpyrrolidin-2-yl)ethyl]-5,5-diphenylimidazol-4-one?

The IUPAC name of (6S)-2-amino-6-(1-benzothiophen-5-yl)-3-[2-(dimethylamino)ethyl]-6-methyl-5H-pyrimidin-4-one;2-amino-6-[5-(3-chlorophenyl)thiophen-2-yl]-6-cyclopropyl-3-methyl-5H-pyrimidin-4-one;4-[(4S,5R)-2-amino-5-(4-cyclopropylphenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]benzonitrile;(5R,6S)-2-amino-5-(4-cyclopropylphenyl)-6-[4-(2-fluoro-3-pyridinyl)-2-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one;5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophene-3-carbonitrile;2-amino-3-[2-(1-methylpyrrolidin-2-yl)ethyl]-5,5-diphenylimidazol-4-one (CID 158780629) is (6S)-2-amino-6-(1-benzothiophen-5-yl)-3-[2-(dimethylamino)ethyl]-6-methyl-5H-pyrimidin-4-one;2-amino-6-[5-(3-chlorophenyl)thiophen-2-yl]-6-cyclopropyl-3-methyl-5H-pyrimidin-4-one;4-[(4S,5R)-2-amino-5-(4-cyclopropylphenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]benzonitrile;(5R,6S)-2-amino-5-(4-cyclopropylphenyl)-6-[4-(2-fluoro-3-pyridinyl)-2-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one;5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophene-3-carbonitrile;2-amino-3-[2-(1-methylpyrrolidin-2-yl)ethyl]-5,5-diphenylimidazol-4-one.

What is the SMILES notation for (6S)-2-amino-6-(1-benzothiophen-5-yl)-3-[2-(dimethylamino)ethyl]-6-methyl-5H-pyrimidin-4-one;2-amino-6-[5-(3-chlorophenyl)thiophen-2-yl]-6-cyclopropyl-3-methyl-5H-pyrimidin-4-one;4-[(4S,5R)-2-amino-5-(4-cyclopropylphenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]benzonitrile;(5R,6S)-2-amino-5-(4-cyclopropylphenyl)-6-[4-(2-fluoro-3-pyridinyl)-2-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one;5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophene-3-carbonitrile;2-amino-3-[2-(1-methylpyrrolidin-2-yl)ethyl]-5,5-diphenylimidazol-4-one?

The canonical SMILES for (6S)-2-amino-6-(1-benzothiophen-5-yl)-3-[2-(dimethylamino)ethyl]-6-methyl-5H-pyrimidin-4-one;2-amino-6-[5-(3-chlorophenyl)thiophen-2-yl]-6-cyclopropyl-3-methyl-5H-pyrimidin-4-one;4-[(4S,5R)-2-amino-5-(4-cyclopropylphenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]benzonitrile;(5R,6S)-2-amino-5-(4-cyclopropylphenyl)-6-[4-(2-fluoro-3-pyridinyl)-2-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one;5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophene-3-carbonitrile;2-amino-3-[2-(1-methylpyrrolidin-2-yl)ethyl]-5,5-diphenylimidazol-4-one is CN(C)CCN1C(=O)C[C@@](C)(c2ccc3sccc3c2)N=C1N.CN1C(=O)CC(c2ccc(-c3cccc(Cl)c3)s2)(C2CC2)N=C1N.CN1C(=O)C[C@@](C)(c2cc(C#N)cs2)N=C1N.CN1C(=O)[C@H](c2ccc(C3CC3)cc2)[C@@](C)(c2cc(-c3cccnc3F)ccn2)N=C1N.CN1C(=O)[C@H](c2ccc(C3CC3)cc2)[C@@](C)(c2ccc(C#N)cc2)N=C1N.CN1CCCC1CCN1C(=O)C(c2ccccc2)(c2ccccc2)N=C1N.

What is the InChIKey of (6S)-2-amino-6-(1-benzothiophen-5-yl)-3-[2-(dimethylamino)ethyl]-6-methyl-5H-pyrimidin-4-one;2-amino-6-[5-(3-chlorophenyl)thiophen-2-yl]-6-cyclopropyl-3-methyl-5H-pyrimidin-4-one;4-[(4S,5R)-2-amino-5-(4-cyclopropylphenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]benzonitrile;(5R,6S)-2-amino-5-(4-cyclopropylphenyl)-6-[4-(2-fluoro-3-pyridinyl)-2-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one;5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophene-3-carbonitrile;2-amino-3-[2-(1-methylpyrrolidin-2-yl)ethyl]-5,5-diphenylimidazol-4-one?

The InChIKey is IRANAXVAFISOIN-YKZDFQGRSA-N. The full InChI is InChI=1S/C25H24FN5O.C22H22N4O.C22H26N4O.C18H18ClN3OS.C17H22N4OS.C11H12N4OS/c1-25(20-14-18(11-13-28-20)19-4-3-12-29-22(19)26)21(23(32)31(2)24(27)30-25)17-9-7-16(8-10-17)15-5-6-15;1-22(18-11-3-14(13-23)4-12-18)19(20(27)26(2)21(24)25-22)17-9-7-16(8-10-17)15-5-6-15;1-25-15-8-13-19(25)14-16-26-20(27)22(24-21(26)23,17-9-4-2-5-10-17)18-11-6-3-7-12-18;1-22-16(23)10-18(12-5-6-12,21-17(22)20)15-8-7-14(24-15)11-3-2-4-13(19)9-11;1-17(13-4-5-14-12(10-13)6-9-23-14)11-15(22)21(16(18)19-17)8-7-20(2)3;1-11(8-3-7(5-12)6-17-8)4-9(16)15(2)10(13)14-11/h3-4,7-15,21H,5-6H2,1-2H3,(H2,27,30);3-4,7-12,15,19H,5-6H2,1-2H3,(H2,24,25);2-7,9-12,19H,8,13-16H2,1H3,(H2,23,24);2-4,7-9,12H,5-6,10H2,1H3,(H2,20,21);4-6,9-10H,7-8,11H2,1-3H3,(H2,18,19);3,6H,4H2,1-2H3,(H2,13,14)/t21-,25+;19-,22+;;;17-;11-/m00..00/s1.

What are the key properties of (6S)-2-amino-6-(1-benzothiophen-5-yl)-3-[2-(dimethylamino)ethyl]-6-methyl-5H-pyrimidin-4-one;2-amino-6-[5-(3-chlorophenyl)thiophen-2-yl]-6-cyclopropyl-3-methyl-5H-pyrimidin-4-one;4-[(4S,5R)-2-amino-5-(4-cyclopropylphenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]benzonitrile;(5R,6S)-2-amino-5-(4-cyclopropylphenyl)-6-[4-(2-fluoro-3-pyridinyl)-2-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one;5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophene-3-carbonitrile;2-amino-3-[2-(1-methylpyrrolidin-2-yl)ethyl]-5,5-diphenylimidazol-4-one?

(6S)-2-amino-6-(1-benzothiophen-5-yl)-3-[2-(dimethylamino)ethyl]-6-methyl-5H-pyrimidin-4-one;2-amino-6-[5-(3-chlorophenyl)thiophen-2-yl]-6-cyclopropyl-3-methyl-5H-pyrimidin-4-one;4-[(4S,5R)-2-amino-5-(4-cyclopropylphenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]benzonitrile;(5R,6S)-2-amino-5-(4-cyclopropylphenyl)-6-[4-(2-fluoro-3-pyridinyl)-2-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one;5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophene-3-carbonitrile;2-amino-3-[2-(1-methylpyrrolidin-2-yl)ethyl]-5,5-diphenylimidazol-4-one has a molecular weight of 2089.07 g/mol, XLogP of 16.83, 20 rotatable bonds, 6 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for (6S)-2-amino-6-(1-benzothiophen-5-yl)-3-[2-(dimethylamino)ethyl]-6-methyl-5H-pyrimidin-4-one;2-amino-6-[5-(3-chlorophenyl)thiophen-2-yl]-6-cyclopropyl-3-methyl-5H-pyrimidin-4-one;4-[(4S,5R)-2-amino-5-(4-cyclopropylphenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]benzonitrile;(5R,6S)-2-amino-5-(4-cyclopropylphenyl)-6-[4-(2-fluoro-3-pyridinyl)-2-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one;5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophene-3-carbonitrile;2-amino-3-[2-(1-methylpyrrolidin-2-yl)ethyl]-5,5-diphenylimidazol-4-one is sourced from PubChem (CID 158780629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).