(6S)-2-amino-6-(1-benzothiophen-2-yl)-3,6-dimethyl-5H-pyrimidin-4-one;(5S,6S)-2-amino-6-(2-bromo-4-pyridinyl)-5-cyclopropyl-3,6-dimethyl-5H-pyrimidin-4-one;3-[5-[(4S)-2-amino-1,4-dimethyl-5-[(E)-3-(4-methylphenyl)prop-2-enyl]-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;(6S)-2-amino-3,6-dimethyl-6-[3-(3-methylpiperazin-1-yl)phenyl]-5H-pyrimidin-4-one;3-[(4S,5S)-2-amino-1,4-dimethyl-6-oxo-5-(4-propan-2-ylsulfonylphenyl)-5H-pyrimidin-4-yl]benzonitrile;3-[(4S,5R)-2-amino-1,4-dimethyl-6-oxo-5-(4-propan-2-ylsulfonylphenyl)-5H-pyrimidin-4-yl]benzonitrile;(6S)-2-amino-6-[5-(3-fluoro-5-methoxyphenyl)-1,3-thiazol-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one

C132H148BrFN28O12S5 — CID 162038227

IUPAC(6S)-2-amino-6-(1-benzothiophen-2-yl)-3,6-dimethyl-5H-pyrimidin-4-one;(5S,6S)-2-amino-6-(2-bromo-4-pyridinyl)-5-cyclopropyl-3,6-dimethyl-5H-pyrimidin-4-one;3-[5-[(4S)-2-amino-1,4-dimethyl-5-[(E)-3-(4-methylphenyl)prop-2-enyl]-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;(6S)-2-amino-3,6-dimethyl-6-[3-(3-methylpiperazin-1-yl)phenyl]-5H-pyrimidin-4-one;3-[(4S,5S)-2-amino-1,4-dimethyl-6-oxo-5-(4-propan-2-ylsulfonylphenyl)-5H-pyrimidin-4-yl]benzonitrile;3-[(4S,5R)-2-amino-1,4-dimethyl-6-oxo-5-(4-propan-2-ylsulfonylphenyl)-5H-pyrimidin-4-yl]benzonitrile;(6S)-2-amino-6-[5-(3-fluoro-5-methoxyphenyl)-1,3-thiazol-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one
SMILESCC(C)S(=O)(=O)c1ccc([C@@H]2C(=O)N(C)C(N)=N[C@]2(C)c2cccc(C#N)c2)cc1.CC(C)S(=O)(=O)c1ccc([C@H]2C(=O)N(C)C(N)=N[C@]2(C)c2cccc(C#N)c2)cc1.CC1CN(c2cccc([C@]3(C)CC(=O)N(C)C(N)=N3)c2)CCN1.CN1C(=O)C[C@@](C)(c2cc3ccccc3s2)N=C1N.CN1C(=O)[C@@H](C2CC2)[C@@](C)(c2ccnc(Br)c2)N=C1N.COc1cc(F)cc(-c2cnc([C@]3(C)CC(=O)N(C)C(N)=N3)s2)c1.Cc1ccc(/C=C/CC2C(=O)N(C)C(N)=N[C@]2(C)c2cc(-c3cccc(C#N)c3)cs2)cc1
InChIInChI=1S/C27H26N4OS.2C22H24N4O3S.C17H25N5O.C16H17FN4O2S.C14H17BrN4O.C14H15N3OS/c1-18-10-12-19(13-11-18)6-5-9-23-25(32)31(3)26(29)30-27(23,2)24-15-22(17-33-24)21-8-4-7-20(14-21)16-28;2*1-14(2)30(28,29)18-10-8-16(9-11-18)19-20(27)26(4)21(24)25-22(19,3)17-7-5-6-15(12-17)13-23;1-12-11-22(8-7-19-12)14-6-4-5-13(9-14)17(2)10-15(23)21(3)16(18)20-17;1-16(7-13(22)21(2)15(18)20-16)14-19-8-12(24-14)9-4-10(17)6-11(5-9)23-3;1-14(9-5-6-17-10(15)7-9)11(8-3-4-8)12(20)19(2)13(16)18-14;1-14(8-12(18)17(2)13(15)16-14)11-7-9-5-3-4-6-10(9)19-11/h4-8,10-15,17,23H,9H2,1-3H3,(H2,29,30);2*5-12,14,19H,1-4H3,(H2,24,25);4-6,9,12,19H,7-8,10-11H2,1-3H3,(H2,18,20);4-6,8H,7H2,1-3H3,(H2,18,20);5-8,11H,3-4H2,1-2H3,(H2,16,18);3-7H,8H2,1-2H3,(H2,15,16)/b6-5+;;;;;;/t23?,27-;19-,22+;19-,22-;12?,17-;16-;11-,14-;14-/m0010010/s1
InChIKeyYWXUTOAQOYDKNH-HVVQKOBUSA-N
MW2578.06 g/mol
LogP17.76
Rot. Bonds21

About (6S)-2-amino-6-(1-benzothiophen-2-yl)-3,6-dimethyl-5H-pyrimidin-4-one;(5S,6S)-2-amino-6-(2-bromo-4-pyridinyl)-5-cyclopropyl-3,6-dimethyl-5H-pyrimidin-4-one;3-[5-[(4S)-2-amino-1,4-dimethyl-5-[(E)-3-(4-methylphenyl)prop-2-enyl]-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;(6S)-2-amino-3,6-dimethyl-6-[3-(3-methylpiperazin-1-yl)phenyl]-5H-pyrimidin-4-one;3-[(4S,5S)-2-amino-1,4-dimethyl-6-oxo-5-(4-propan-2-ylsulfonylphenyl)-5H-pyrimidin-4-yl]benzonitrile;3-[(4S,5R)-2-amino-1,4-dimethyl-6-oxo-5-(4-propan-2-ylsulfonylphenyl)-5H-pyrimidin-4-yl]benzonitrile;(6S)-2-amino-6-[5-(3-fluoro-5-methoxyphenyl)-1,3-thiazol-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one

(6S)-2-amino-6-(1-benzothiophen-2-yl)-3,6-dimethyl-5H-pyrimidin-4-one;(5S,6S)-2-amino-6-(2-bromo-4-pyridinyl)-5-cyclopropyl-3,6-dimethyl-5H-pyrimidin-4-one;3-[5-[(4S)-2-amino-1,4-dimethyl-5-[(E)-3-(4-methylphenyl)prop-2-enyl]-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;(6S)-2-amino-3,6-dimethyl-6-[3-(3-methylpiperazin-1-yl)phenyl]-5H-pyrimidin-4-one;3-[(4S,5S)-2-amino-1,4-dimethyl-6-oxo-5-(4-propan-2-ylsulfonylphenyl)-5H-pyrimidin-4-yl]benzonitrile;3-[(4S,5R)-2-amino-1,4-dimethyl-6-oxo-5-(4-propan-2-ylsulfonylphenyl)-5H-pyrimidin-4-yl]benzonitrile;(6S)-2-amino-6-[5-(3-fluoro-5-methoxyphenyl)-1,3-thiazol-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one (PubChem CID 162038227) has the molecular formula C132H148BrFN28O12S5 and a molecular weight of 2578.06 g/mol. Its IUPAC name is (6S)-2-amino-6-(1-benzothiophen-2-yl)-3,6-dimethyl-5H-pyrimidin-4-one;(5S,6S)-2-amino-6-(2-bromo-4-pyridinyl)-5-cyclopropyl-3,6-dimethyl-5H-pyrimidin-4-one;3-[5-[(4S)-2-amino-1,4-dimethyl-5-[(E)-3-(4-methylphenyl)prop-2-enyl]-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;(6S)-2-amino-3,6-dimethyl-6-[3-(3-methylpiperazin-1-yl)phenyl]-5H-pyrimidin-4-one;3-[(4S,5S)-2-amino-1,4-dimethyl-6-oxo-5-(4-propan-2-ylsulfonylphenyl)-5H-pyrimidin-4-yl]benzonitrile;3-[(4S,5R)-2-amino-1,4-dimethyl-6-oxo-5-(4-propan-2-ylsulfonylphenyl)-5H-pyrimidin-4-yl]benzonitrile;(6S)-2-amino-6-[5-(3-fluoro-5-methoxyphenyl)-1,3-thiazol-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one.

Molecular Properties

Compound Name(6S)-2-amino-6-(1-benzothiophen-2-yl)-3,6-dimethyl-5H-pyrimidin-4-one;(5S,6S)-2-amino-6-(2-bromo-4-pyridinyl)-5-cyclopropyl-3,6-dimethyl-5H-pyrimidin-4-one;3-[5-[(4S)-2-amino-1,4-dimethyl-5-[(E)-3-(4-methylphenyl)prop-2-enyl]-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;(6S)-2-amino-3,6-dimethyl-6-[3-(3-methylpiperazin-1-yl)phenyl]-5H-pyrimidin-4-one;3-[(4S,5S)-2-amino-1,4-dimethyl-6-oxo-5-(4-propan-2-ylsulfonylphenyl)-5H-pyrimidin-4-yl]benzonitrile;3-[(4S,5R)-2-amino-1,4-dimethyl-6-oxo-5-(4-propan-2-ylsulfonylphenyl)-5H-pyrimidin-4-yl]benzonitrile;(6S)-2-amino-6-[5-(3-fluoro-5-methoxyphenyl)-1,3-thiazol-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one
PubChem CID162038227
Molecular FormulaC132H148BrFN28O12S5
Molecular Weight2578.06 g/mol
Exact Mass2574.96
IUPAC Name(6S)-2-amino-6-(1-benzothiophen-2-yl)-3,6-dimethyl-5H-pyrimidin-4-one;(5S,6S)-2-amino-6-(2-bromo-4-pyridinyl)-5-cyclopropyl-3,6-dimethyl-5H-pyrimidin-4-one;3-[5-[(4S)-2-amino-1,4-dimethyl-5-[(E)-3-(4-methylphenyl)prop-2-enyl]-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;(6S)-2-amino-3,6-dimethyl-6-[3-(3-methylpiperazin-1-yl)phenyl]-5H-pyrimidin-4-one;3-[(4S,5S)-2-amino-1,4-dimethyl-6-oxo-5-(4-propan-2-ylsulfonylphenyl)-5H-pyrimidin-4-yl]benzonitrile;3-[(4S,5R)-2-amino-1,4-dimethyl-6-oxo-5-(4-propan-2-ylsulfonylphenyl)-5H-pyrimidin-4-yl]benzonitrile;(6S)-2-amino-6-[5-(3-fluoro-5-methoxyphenyl)-1,3-thiazol-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one
SMILESCC(C)S(=O)(=O)c1ccc([C@@H]2C(=O)N(C)C(N)=N[C@]2(C)c2cccc(C#N)c2)cc1.CC(C)S(=O)(=O)c1ccc([C@H]2C(=O)N(C)C(N)=N[C@]2(C)c2cccc(C#N)c2)cc1.CC1CN(c2cccc([C@]3(C)CC(=O)N(C)C(N)=N3)c2)CCN1.CN1C(=O)C[C@@](C)(c2cc3ccccc3s2)N=C1N.CN1C(=O)[C@@H](C2CC2)[C@@](C)(c2ccnc(Br)c2)N=C1N.COc1cc(F)cc(-c2cnc([C@]3(C)CC(=O)N(C)C(N)=N3)s2)c1.Cc1ccc(/C=C/CC2C(=O)N(C)C(N)=N[C@]2(C)c2cc(-c3cccc(C#N)c3)cs2)cc1
InChIInChI=1S/C27H26N4OS.2C22H24N4O3S.C17H25N5O.C16H17FN4O2S.C14H17BrN4O.C14H15N3OS/c1-18-10-12-19(13-11-18)6-5-9-23-25(32)31(3)26(29)30-27(23,2)24-15-22(17-33-24)21-8-4-7-20(14-21)16-28;2*1-14(2)30(28,29)18-10-8-16(9-11-18)19-20(27)26(4)21(24)25-22(19,3)17-7-5-6-15(12-17)13-23;1-12-11-22(8-7-19-12)14-6-4-5-13(9-14)17(2)10-15(23)21(3)16(18)20-17;1-16(7-13(22)21(2)15(18)20-16)14-19-8-12(24-14)9-4-10(17)6-11(5-9)23-3;1-14(9-5-6-17-10(15)7-9)11(8-3-4-8)12(20)19(2)13(16)18-14;1-14(8-12(18)17(2)13(15)16-14)11-7-9-5-3-4-6-10(9)19-11/h4-8,10-15,17,23H,9H2,1-3H3,(H2,29,30);2*5-12,14,19H,1-4H3,(H2,24,25);4-6,9,12,19H,7-8,10-11H2,1-3H3,(H2,18,20);4-6,8H,7H2,1-3H3,(H2,18,20);5-8,11H,3-4H2,1-2H3,(H2,16,18);3-7H,8H2,1-2H3,(H2,15,16)/b6-5+;;;;;;/t23?,27-;19-,22+;19-,22-;12?,17-;16-;11-,14-;14-/m0010010/s1
InChIKeyYWXUTOAQOYDKNH-HVVQKOBUSA-N
XLogP17.76
TPSA600.76 Ų
H-Bond Donors8
H-Bond Acceptors36
Rotatable Bonds21
Heavy Atoms179
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002578.06
LogP ≤ 517.76
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1036

Computed Properties (RDKit)

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

Analyze (6S)-2-amino-6-(1-benzothiophen-2-yl)-3,6-dimethyl-5H-pyrimidin-4-one;(5S,6S)-2-amino-6-(2-bromo-4-pyridinyl)-5-cyclopropyl-3,6-dimethyl-5H-pyrimidin-4-one;3-[5-[(4S)-2-amino-1,4-dimethyl-5-[(E)-3-(4-methylphenyl)prop-2-enyl]-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;(6S)-2-amino-3,6-dimethyl-6-[3-(3-methylpiperazin-1-yl)phenyl]-5H-pyrimidin-4-one;3-[(4S,5S)-2-amino-1,4-dimethyl-6-oxo-5-(4-propan-2-ylsulfonylphenyl)-5H-pyrimidin-4-yl]benzonitrile;3-[(4S,5R)-2-amino-1,4-dimethyl-6-oxo-5-(4-propan-2-ylsulfonylphenyl)-5H-pyrimidin-4-yl]benzonitrile;(6S)-2-amino-6-[5-(3-fluoro-5-methoxyphenyl)-1,3-thiazol-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(6S)-2-amino-6-(1,3-benzothiazol-5-yl)-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-[7-(3,4-difluorophenyl)-1-benzothiophen-5-yl]-3,6-dimethyl-5H-pyrimidin-4-one;3-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-N-(2-phenylethyl)piperidine-1-carboxamide;(6S)-2-amino-6-[6-(3-methoxyphenyl)pyrazin-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;3-[5-[(4S,5S)-2-amino-1,4,5-trimethyl-6-oxo-5H-pyrimidin-4-yl]-2-methylthiophen-3-yl]benzonitrile;3-[5-[(4S,5R)-2-amino-1,4,5-trimethyl-6-oxo-5H-pyrimidin-4-yl]-2-methylthiophen-3-yl]benzonitrile
CID 158973186

Frequently Asked Questions

What is the IUPAC name of (6S)-2-amino-6-(1-benzothiophen-2-yl)-3,6-dimethyl-5H-pyrimidin-4-one;(5S,6S)-2-amino-6-(2-bromo-4-pyridinyl)-5-cyclopropyl-3,6-dimethyl-5H-pyrimidin-4-one;3-[5-[(4S)-2-amino-1,4-dimethyl-5-[(E)-3-(4-methylphenyl)prop-2-enyl]-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;(6S)-2-amino-3,6-dimethyl-6-[3-(3-methylpiperazin-1-yl)phenyl]-5H-pyrimidin-4-one;3-[(4S,5S)-2-amino-1,4-dimethyl-6-oxo-5-(4-propan-2-ylsulfonylphenyl)-5H-pyrimidin-4-yl]benzonitrile;3-[(4S,5R)-2-amino-1,4-dimethyl-6-oxo-5-(4-propan-2-ylsulfonylphenyl)-5H-pyrimidin-4-yl]benzonitrile;(6S)-2-amino-6-[5-(3-fluoro-5-methoxyphenyl)-1,3-thiazol-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one?
The IUPAC name of (6S)-2-amino-6-(1-benzothiophen-2-yl)-3,6-dimethyl-5H-pyrimidin-4-one;(5S,6S)-2-amino-6-(2-bromo-4-pyridinyl)-5-cyclopropyl-3,6-dimethyl-5H-pyrimidin-4-one;3-[5-[(4S)-2-amino-1,4-dimethyl-5-[(E)-3-(4-methylphenyl)prop-2-enyl]-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;(6S)-2-amino-3,6-dimethyl-6-[3-(3-methylpiperazin-1-yl)phenyl]-5H-pyrimidin-4-one;3-[(4S,5S)-2-amino-1,4-dimethyl-6-oxo-5-(4-propan-2-ylsulfonylphenyl)-5H-pyrimidin-4-yl]benzonitrile;3-[(4S,5R)-2-amino-1,4-dimethyl-6-oxo-5-(4-propan-2-ylsulfonylphenyl)-5H-pyrimidin-4-yl]benzonitrile;(6S)-2-amino-6-[5-(3-fluoro-5-methoxyphenyl)-1,3-thiazol-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one (CID 162038227) is (6S)-2-amino-6-(1-benzothiophen-2-yl)-3,6-dimethyl-5H-pyrimidin-4-one;(5S,6S)-2-amino-6-(2-bromo-4-pyridinyl)-5-cyclopropyl-3,6-dimethyl-5H-pyrimidin-4-one;3-[5-[(4S)-2-amino-1,4-dimethyl-5-[(E)-3-(4-methylphenyl)prop-2-enyl]-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;(6S)-2-amino-3,6-dimethyl-6-[3-(3-methylpiperazin-1-yl)phenyl]-5H-pyrimidin-4-one;3-[(4S,5S)-2-amino-1,4-dimethyl-6-oxo-5-(4-propan-2-ylsulfonylphenyl)-5H-pyrimidin-4-yl]benzonitrile;3-[(4S,5R)-2-amino-1,4-dimethyl-6-oxo-5-(4-propan-2-ylsulfonylphenyl)-5H-pyrimidin-4-yl]benzonitrile;(6S)-2-amino-6-[5-(3-fluoro-5-methoxyphenyl)-1,3-thiazol-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one.
What is the SMILES notation for (6S)-2-amino-6-(1-benzothiophen-2-yl)-3,6-dimethyl-5H-pyrimidin-4-one;(5S,6S)-2-amino-6-(2-bromo-4-pyridinyl)-5-cyclopropyl-3,6-dimethyl-5H-pyrimidin-4-one;3-[5-[(4S)-2-amino-1,4-dimethyl-5-[(E)-3-(4-methylphenyl)prop-2-enyl]-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;(6S)-2-amino-3,6-dimethyl-6-[3-(3-methylpiperazin-1-yl)phenyl]-5H-pyrimidin-4-one;3-[(4S,5S)-2-amino-1,4-dimethyl-6-oxo-5-(4-propan-2-ylsulfonylphenyl)-5H-pyrimidin-4-yl]benzonitrile;3-[(4S,5R)-2-amino-1,4-dimethyl-6-oxo-5-(4-propan-2-ylsulfonylphenyl)-5H-pyrimidin-4-yl]benzonitrile;(6S)-2-amino-6-[5-(3-fluoro-5-methoxyphenyl)-1,3-thiazol-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one?
The canonical SMILES for (6S)-2-amino-6-(1-benzothiophen-2-yl)-3,6-dimethyl-5H-pyrimidin-4-one;(5S,6S)-2-amino-6-(2-bromo-4-pyridinyl)-5-cyclopropyl-3,6-dimethyl-5H-pyrimidin-4-one;3-[5-[(4S)-2-amino-1,4-dimethyl-5-[(E)-3-(4-methylphenyl)prop-2-enyl]-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;(6S)-2-amino-3,6-dimethyl-6-[3-(3-methylpiperazin-1-yl)phenyl]-5H-pyrimidin-4-one;3-[(4S,5S)-2-amino-1,4-dimethyl-6-oxo-5-(4-propan-2-ylsulfonylphenyl)-5H-pyrimidin-4-yl]benzonitrile;3-[(4S,5R)-2-amino-1,4-dimethyl-6-oxo-5-(4-propan-2-ylsulfonylphenyl)-5H-pyrimidin-4-yl]benzonitrile;(6S)-2-amino-6-[5-(3-fluoro-5-methoxyphenyl)-1,3-thiazol-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one is CC(C)S(=O)(=O)c1ccc([C@@H]2C(=O)N(C)C(N)=N[C@]2(C)c2cccc(C#N)c2)cc1.CC(C)S(=O)(=O)c1ccc([C@H]2C(=O)N(C)C(N)=N[C@]2(C)c2cccc(C#N)c2)cc1.CC1CN(c2cccc([C@]3(C)CC(=O)N(C)C(N)=N3)c2)CCN1.CN1C(=O)C[C@@](C)(c2cc3ccccc3s2)N=C1N.CN1C(=O)[C@@H](C2CC2)[C@@](C)(c2ccnc(Br)c2)N=C1N.COc1cc(F)cc(-c2cnc([C@]3(C)CC(=O)N(C)C(N)=N3)s2)c1.Cc1ccc(/C=C/CC2C(=O)N(C)C(N)=N[C@]2(C)c2cc(-c3cccc(C#N)c3)cs2)cc1.
What is the InChIKey of (6S)-2-amino-6-(1-benzothiophen-2-yl)-3,6-dimethyl-5H-pyrimidin-4-one;(5S,6S)-2-amino-6-(2-bromo-4-pyridinyl)-5-cyclopropyl-3,6-dimethyl-5H-pyrimidin-4-one;3-[5-[(4S)-2-amino-1,4-dimethyl-5-[(E)-3-(4-methylphenyl)prop-2-enyl]-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;(6S)-2-amino-3,6-dimethyl-6-[3-(3-methylpiperazin-1-yl)phenyl]-5H-pyrimidin-4-one;3-[(4S,5S)-2-amino-1,4-dimethyl-6-oxo-5-(4-propan-2-ylsulfonylphenyl)-5H-pyrimidin-4-yl]benzonitrile;3-[(4S,5R)-2-amino-1,4-dimethyl-6-oxo-5-(4-propan-2-ylsulfonylphenyl)-5H-pyrimidin-4-yl]benzonitrile;(6S)-2-amino-6-[5-(3-fluoro-5-methoxyphenyl)-1,3-thiazol-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one?
The InChIKey is YWXUTOAQOYDKNH-HVVQKOBUSA-N. The full InChI is InChI=1S/C27H26N4OS.2C22H24N4O3S.C17H25N5O.C16H17FN4O2S.C14H17BrN4O.C14H15N3OS/c1-18-10-12-19(13-11-18)6-5-9-23-25(32)31(3)26(29)30-27(23,2)24-15-22(17-33-24)21-8-4-7-20(14-21)16-28;2*1-14(2)30(28,29)18-10-8-16(9-11-18)19-20(27)26(4)21(24)25-22(19,3)17-7-5-6-15(12-17)13-23;1-12-11-22(8-7-19-12)14-6-4-5-13(9-14)17(2)10-15(23)21(3)16(18)20-17;1-16(7-13(22)21(2)15(18)20-16)14-19-8-12(24-14)9-4-10(17)6-11(5-9)23-3;1-14(9-5-6-17-10(15)7-9)11(8-3-4-8)12(20)19(2)13(16)18-14;1-14(8-12(18)17(2)13(15)16-14)11-7-9-5-3-4-6-10(9)19-11/h4-8,10-15,17,23H,9H2,1-3H3,(H2,29,30);2*5-12,14,19H,1-4H3,(H2,24,25);4-6,9,12,19H,7-8,10-11H2,1-3H3,(H2,18,20);4-6,8H,7H2,1-3H3,(H2,18,20);5-8,11H,3-4H2,1-2H3,(H2,16,18);3-7H,8H2,1-2H3,(H2,15,16)/b6-5+;;;;;;/t23?,27-;19-,22+;19-,22-;12?,17-;16-;11-,14-;14-/m0010010/s1.
What are the key properties of (6S)-2-amino-6-(1-benzothiophen-2-yl)-3,6-dimethyl-5H-pyrimidin-4-one;(5S,6S)-2-amino-6-(2-bromo-4-pyridinyl)-5-cyclopropyl-3,6-dimethyl-5H-pyrimidin-4-one;3-[5-[(4S)-2-amino-1,4-dimethyl-5-[(E)-3-(4-methylphenyl)prop-2-enyl]-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;(6S)-2-amino-3,6-dimethyl-6-[3-(3-methylpiperazin-1-yl)phenyl]-5H-pyrimidin-4-one;3-[(4S,5S)-2-amino-1,4-dimethyl-6-oxo-5-(4-propan-2-ylsulfonylphenyl)-5H-pyrimidin-4-yl]benzonitrile;3-[(4S,5R)-2-amino-1,4-dimethyl-6-oxo-5-(4-propan-2-ylsulfonylphenyl)-5H-pyrimidin-4-yl]benzonitrile;(6S)-2-amino-6-[5-(3-fluoro-5-methoxyphenyl)-1,3-thiazol-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one?
(6S)-2-amino-6-(1-benzothiophen-2-yl)-3,6-dimethyl-5H-pyrimidin-4-one;(5S,6S)-2-amino-6-(2-bromo-4-pyridinyl)-5-cyclopropyl-3,6-dimethyl-5H-pyrimidin-4-one;3-[5-[(4S)-2-amino-1,4-dimethyl-5-[(E)-3-(4-methylphenyl)prop-2-enyl]-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;(6S)-2-amino-3,6-dimethyl-6-[3-(3-methylpiperazin-1-yl)phenyl]-5H-pyrimidin-4-one;3-[(4S,5S)-2-amino-1,4-dimethyl-6-oxo-5-(4-propan-2-ylsulfonylphenyl)-5H-pyrimidin-4-yl]benzonitrile;3-[(4S,5R)-2-amino-1,4-dimethyl-6-oxo-5-(4-propan-2-ylsulfonylphenyl)-5H-pyrimidin-4-yl]benzonitrile;(6S)-2-amino-6-[5-(3-fluoro-5-methoxyphenyl)-1,3-thiazol-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one has a molecular weight of 2578.06 g/mol, XLogP of 17.76, 21 rotatable bonds, 8 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-2-amino-6-(1-benzothiophen-2-yl)-3,6-dimethyl-5H-pyrimidin-4-one;(5S,6S)-2-amino-6-(2-bromo-4-pyridinyl)-5-cyclopropyl-3,6-dimethyl-5H-pyrimidin-4-one;3-[5-[(4S)-2-amino-1,4-dimethyl-5-[(E)-3-(4-methylphenyl)prop-2-enyl]-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;(6S)-2-amino-3,6-dimethyl-6-[3-(3-methylpiperazin-1-yl)phenyl]-5H-pyrimidin-4-one;3-[(4S,5S)-2-amino-1,4-dimethyl-6-oxo-5-(4-propan-2-ylsulfonylphenyl)-5H-pyrimidin-4-yl]benzonitrile;3-[(4S,5R)-2-amino-1,4-dimethyl-6-oxo-5-(4-propan-2-ylsulfonylphenyl)-5H-pyrimidin-4-yl]benzonitrile;(6S)-2-amino-6-[5-(3-fluoro-5-methoxyphenyl)-1,3-thiazol-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one is sourced from PubChem (CID 162038227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).