(5S,6S)-2-amino-6-[2-(3-chloro-2-fluorophenyl)-4-pyridinyl]-5-(4-cyclopropylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-[2-(3-chloro-2-fluorophenyl)-4-pyridinyl]-5-(4-cyclopropylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-(4-cyclopropylphenyl)-3,6-dimethyl-6-(2-methylindazol-6-yl)-5H-pyrimidin-4-one;5-[(4S,5S)-2-amino-5-[4-(1,1-difluoroethyl)phenyl]-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophene-2-carbonitrile;(6S)-2-amino-3,6-dimethyl-6-thieno[3,2-b][1]benzofuran-2-yl-5H-pyrimidin-4-one;2-amino-3-methyl-5-phenyl-5-(4-pyrimidin-5-ylthiophen-2-yl)imidazol-4-one

C128H121Cl2F4N25O7S3 — CID 159684695

IUPAC(5S,6S)-2-amino-6-[2-(3-chloro-2-fluorophenyl)-4-pyridinyl]-5-(4-cyclopropylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-[2-(3-chloro-2-fluorophenyl)-4-pyridinyl]-5-(4-cyclopropylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-(4-cyclopropylphenyl)-3,6-dimethyl-6-(2-methylindazol-6-yl)-5H-pyrimidin-4-one;5-[(4S,5S)-2-amino-5-[4-(1,1-difluoroethyl)phenyl]-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophene-2-carbonitrile;(6S)-2-amino-3,6-dimethyl-6-thieno[3,2-b][1]benzofuran-2-yl-5H-pyrimidin-4-one;2-amino-3-methyl-5-phenyl-5-(4-pyrimidin-5-ylthiophen-2-yl)imidazol-4-one
SMILESCN1C(=O)C(c2ccccc2)(c2cc(-c3cncnc3)cs2)N=C1N.CN1C(=O)C[C@@](C)(c2cc3oc4ccccc4c3s2)N=C1N.CN1C(=O)[C@@H](c2ccc(C(C)(F)F)cc2)[C@@](C)(c2ccc(C#N)s2)N=C1N.CN1C(=O)[C@@H](c2ccc(C3CC3)cc2)[C@@](C)(c2ccnc(-c3cccc(Cl)c3F)c2)N=C1N.CN1C(=O)[C@H](c2ccc(C3CC3)cc2)[C@@](C)(c2ccc3cn(C)nc3c2)N=C1N.CN1C(=O)[C@H](c2ccc(C3CC3)cc2)[C@@](C)(c2ccnc(-c3cccc(Cl)c3F)c2)N=C1N
InChIInChI=1S/2C26H24ClFN4O.C23H25N5O.C19H18F2N4OS.C18H15N5OS.C16H15N3O2S/c2*1-26(18-12-13-30-21(14-18)19-4-3-5-20(27)23(19)28)22(24(33)32(2)25(29)31-26)17-10-8-16(9-11-17)15-6-7-15;1-23(18-11-10-17-13-27(2)26-19(17)12-18)20(21(29)28(3)22(24)25-23)16-8-6-15(7-9-16)14-4-5-14;1-18(14-9-8-13(10-22)27-14)15(16(26)25(3)17(23)24-18)11-4-6-12(7-5-11)19(2,20)21;1-23-16(24)18(22-17(23)19,14-5-3-2-4-6-14)15-7-12(10-25-15)13-8-20-11-21-9-13;1-16(8-13(20)19(2)15(17)18-16)12-7-11-14(22-12)9-5-3-4-6-10(9)21-11/h2*3-5,8-15,22H,6-7H2,1-2H3,(H2,29,31);6-14,20H,4-5H2,1-3H3,(H2,24,25);4-9,15H,1-3H3,(H2,23,24);2-11H,1H3,(H2,19,22);3-7H,8H2,1-2H3,(H2,17,18)/t22-,26+;22-,26-;20-,23+;15-,18-;;16-/m0101.0/s1
InChIKeyMVQHXDSNHGSPEB-QXEQHGADSA-N
MW2364.64 g/mol
LogP22.44
Rot. Bonds18

About (5S,6S)-2-amino-6-[2-(3-chloro-2-fluorophenyl)-4-pyridinyl]-5-(4-cyclopropylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-[2-(3-chloro-2-fluorophenyl)-4-pyridinyl]-5-(4-cyclopropylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-(4-cyclopropylphenyl)-3,6-dimethyl-6-(2-methylindazol-6-yl)-5H-pyrimidin-4-one;5-[(4S,5S)-2-amino-5-[4-(1,1-difluoroethyl)phenyl]-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophene-2-carbonitrile;(6S)-2-amino-3,6-dimethyl-6-thieno[3,2-b][1]benzofuran-2-yl-5H-pyrimidin-4-one;2-amino-3-methyl-5-phenyl-5-(4-pyrimidin-5-ylthiophen-2-yl)imidazol-4-one

(5S,6S)-2-amino-6-[2-(3-chloro-2-fluorophenyl)-4-pyridinyl]-5-(4-cyclopropylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-[2-(3-chloro-2-fluorophenyl)-4-pyridinyl]-5-(4-cyclopropylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-(4-cyclopropylphenyl)-3,6-dimethyl-6-(2-methylindazol-6-yl)-5H-pyrimidin-4-one;5-[(4S,5S)-2-amino-5-[4-(1,1-difluoroethyl)phenyl]-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophene-2-carbonitrile;(6S)-2-amino-3,6-dimethyl-6-thieno[3,2-b][1]benzofuran-2-yl-5H-pyrimidin-4-one;2-amino-3-methyl-5-phenyl-5-(4-pyrimidin-5-ylthiophen-2-yl)imidazol-4-one (PubChem CID 159684695) has the molecular formula C128H121Cl2F4N25O7S3 and a molecular weight of 2364.64 g/mol. Its IUPAC name is (5S,6S)-2-amino-6-[2-(3-chloro-2-fluorophenyl)-4-pyridinyl]-5-(4-cyclopropylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-[2-(3-chloro-2-fluorophenyl)-4-pyridinyl]-5-(4-cyclopropylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-(4-cyclopropylphenyl)-3,6-dimethyl-6-(2-methylindazol-6-yl)-5H-pyrimidin-4-one;5-[(4S,5S)-2-amino-5-[4-(1,1-difluoroethyl)phenyl]-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophene-2-carbonitrile;(6S)-2-amino-3,6-dimethyl-6-thieno[3,2-b][1]benzofuran-2-yl-5H-pyrimidin-4-one;2-amino-3-methyl-5-phenyl-5-(4-pyrimidin-5-ylthiophen-2-yl)imidazol-4-one.

Molecular Properties

Compound Name(5S,6S)-2-amino-6-[2-(3-chloro-2-fluorophenyl)-4-pyridinyl]-5-(4-cyclopropylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-[2-(3-chloro-2-fluorophenyl)-4-pyridinyl]-5-(4-cyclopropylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-(4-cyclopropylphenyl)-3,6-dimethyl-6-(2-methylindazol-6-yl)-5H-pyrimidin-4-one;5-[(4S,5S)-2-amino-5-[4-(1,1-difluoroethyl)phenyl]-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophene-2-carbonitrile;(6S)-2-amino-3,6-dimethyl-6-thieno[3,2-b][1]benzofuran-2-yl-5H-pyrimidin-4-one;2-amino-3-methyl-5-phenyl-5-(4-pyrimidin-5-ylthiophen-2-yl)imidazol-4-one
PubChem CID159684695
Molecular FormulaC128H121Cl2F4N25O7S3
Molecular Weight2364.64 g/mol
Exact Mass2361.84
IUPAC Name(5S,6S)-2-amino-6-[2-(3-chloro-2-fluorophenyl)-4-pyridinyl]-5-(4-cyclopropylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-[2-(3-chloro-2-fluorophenyl)-4-pyridinyl]-5-(4-cyclopropylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-(4-cyclopropylphenyl)-3,6-dimethyl-6-(2-methylindazol-6-yl)-5H-pyrimidin-4-one;5-[(4S,5S)-2-amino-5-[4-(1,1-difluoroethyl)phenyl]-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophene-2-carbonitrile;(6S)-2-amino-3,6-dimethyl-6-thieno[3,2-b][1]benzofuran-2-yl-5H-pyrimidin-4-one;2-amino-3-methyl-5-phenyl-5-(4-pyrimidin-5-ylthiophen-2-yl)imidazol-4-one
SMILESCN1C(=O)C(c2ccccc2)(c2cc(-c3cncnc3)cs2)N=C1N.CN1C(=O)C[C@@](C)(c2cc3oc4ccccc4c3s2)N=C1N.CN1C(=O)[C@@H](c2ccc(C(C)(F)F)cc2)[C@@](C)(c2ccc(C#N)s2)N=C1N.CN1C(=O)[C@@H](c2ccc(C3CC3)cc2)[C@@](C)(c2ccnc(-c3cccc(Cl)c3F)c2)N=C1N.CN1C(=O)[C@H](c2ccc(C3CC3)cc2)[C@@](C)(c2ccc3cn(C)nc3c2)N=C1N.CN1C(=O)[C@H](c2ccc(C3CC3)cc2)[C@@](C)(c2ccnc(-c3cccc(Cl)c3F)c2)N=C1N
InChIInChI=1S/2C26H24ClFN4O.C23H25N5O.C19H18F2N4OS.C18H15N5OS.C16H15N3O2S/c2*1-26(18-12-13-30-21(14-18)19-4-3-5-20(27)23(19)28)22(24(33)32(2)25(29)31-26)17-10-8-16(9-11-17)15-6-7-15;1-23(18-11-10-17-13-27(2)26-19(17)12-18)20(21(29)28(3)22(24)25-23)16-8-6-15(7-9-16)14-4-5-14;1-18(14-9-8-13(10-22)27-14)15(16(26)25(3)17(23)24-18)11-4-6-12(7-5-11)19(2,20)21;1-23-16(24)18(22-17(23)19,14-5-3-2-4-6-14)15-7-12(10-25-15)13-8-20-11-21-9-13;1-16(8-13(20)19(2)15(17)18-16)12-7-11-14(22-12)9-5-3-4-6-10(9)21-11/h2*3-5,8-15,22H,6-7H2,1-2H3,(H2,29,31);6-14,20H,4-5H2,1-3H3,(H2,24,25);4-9,15H,1-3H3,(H2,23,24);2-11H,1H3,(H2,19,22);3-7H,8H2,1-2H3,(H2,17,18)/t22-,26+;22-,26-;20-,23+;15-,18-;;16-/m0101.0/s1
InChIKeyMVQHXDSNHGSPEB-QXEQHGADSA-N
XLogP22.44
TPSA458.45 Ų
H-Bond Donors6
H-Bond Acceptors29
Rotatable Bonds18
Heavy Atoms169
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002364.64
LogP ≤ 522.44
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1029

Analyze (5S,6S)-2-amino-6-[2-(3-chloro-2-fluorophenyl)-4-pyridinyl]-5-(4-cyclopropylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-[2-(3-chloro-2-fluorophenyl)-4-pyridinyl]-5-(4-cyclopropylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-(4-cyclopropylphenyl)-3,6-dimethyl-6-(2-methylindazol-6-yl)-5H-pyrimidin-4-one;5-[(4S,5S)-2-amino-5-[4-(1,1-difluoroethyl)phenyl]-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophene-2-carbonitrile;(6S)-2-amino-3,6-dimethyl-6-thieno[3,2-b][1]benzofuran-2-yl-5H-pyrimidin-4-one;2-amino-3-methyl-5-phenyl-5-(4-pyrimidin-5-ylthiophen-2-yl)imidazol-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-5-(1-benzofuran-5-yl)-3,6-dimethyl-6-[4-(6-methylpyridazin-3-yl)thiophen-2-yl]-5H-pyrimidin-4-one;(6S)-2-amino-6-[4-(3-chlorophenyl)-2-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one;5-[(4S)-2-amino-5-[4-(1,1-difluoroethyl)phenyl]-4-methyl-6-oxo-1,5-dihydropyrimidin-4-yl]thiophene-2-carbonitrile;5-[2-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-1,3-thiazol-4-yl]-2-fluorobenzonitrile;2-amino-5-[3-[(2-ethylpyrazol-3-yl)amino]phenyl]-3-methyl-5-phenylimidazol-4-one
CID 158409107
bis(1,3-dichloro-5-propan-2-ylbenzene);bis(N,N-dimethyl-3-propan-2-ylbenzamide);3,5-dimethyl-1-(3-propan-2-ylphenyl)pyrazole;2-ethoxy-5-propan-2-ylpyrimidine;3-methoxy-6-propan-2-ylpyridazine;2-methoxy-5-propan-2-ylpyridine;2-methylheptane;N-methyl-5-propan-2-ylpyrimidin-2-amine;3-propan-2-ylbenzonitrile;propan-2-ylcyclopropane;bis(3-propan-2-yldibenzofuran);5-propan-2-yl-2,3-dihydro-1-benzofuran;bis(1-(3-propan-2-ylphenyl)pyrrolidin-2-one);3-propan-2-ylpyridine;3-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-ylthiophene;1,1,1-trifluoro-4-methylpentane
CID 159755399
3-chloro-5-propan-2-ylpyridine;cumene;1,3-dichloro-5-propan-2-ylbenzene;N,N-dimethyl-3-propan-2-ylbenzamide;N,N-dimethyl-1-(3-propan-2-ylphenyl)methanamine;3,5-dimethyl-1-(3-propan-2-ylphenyl)pyrazole;2-ethoxy-5-propan-2-ylpyrimidine;2-fluoro-1-methoxy-4-propan-2-ylbenzene;3-methoxy-6-propan-2-ylpyridazine;2-methoxy-5-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyrimidine;2-methylheptane;N-methyl-5-propan-2-ylpyrimidin-2-amine;3-propan-2-ylbenzonitrile;propan-2-ylcyclopropane;3-propan-2-yldibenzofuran;5-propan-2-yl-2,3-dihydrofuro[2,3-b]pyridine;1-(3-propan-2-ylphenyl)pyrrolidin-2-one;3-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-ylthiophene;1,1,1-trifluoro-4-methylpentane
CID 161912599

Frequently Asked Questions

What is the IUPAC name of (5S,6S)-2-amino-6-[2-(3-chloro-2-fluorophenyl)-4-pyridinyl]-5-(4-cyclopropylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-[2-(3-chloro-2-fluorophenyl)-4-pyridinyl]-5-(4-cyclopropylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-(4-cyclopropylphenyl)-3,6-dimethyl-6-(2-methylindazol-6-yl)-5H-pyrimidin-4-one;5-[(4S,5S)-2-amino-5-[4-(1,1-difluoroethyl)phenyl]-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophene-2-carbonitrile;(6S)-2-amino-3,6-dimethyl-6-thieno[3,2-b][1]benzofuran-2-yl-5H-pyrimidin-4-one;2-amino-3-methyl-5-phenyl-5-(4-pyrimidin-5-ylthiophen-2-yl)imidazol-4-one?
The IUPAC name of (5S,6S)-2-amino-6-[2-(3-chloro-2-fluorophenyl)-4-pyridinyl]-5-(4-cyclopropylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-[2-(3-chloro-2-fluorophenyl)-4-pyridinyl]-5-(4-cyclopropylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-(4-cyclopropylphenyl)-3,6-dimethyl-6-(2-methylindazol-6-yl)-5H-pyrimidin-4-one;5-[(4S,5S)-2-amino-5-[4-(1,1-difluoroethyl)phenyl]-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophene-2-carbonitrile;(6S)-2-amino-3,6-dimethyl-6-thieno[3,2-b][1]benzofuran-2-yl-5H-pyrimidin-4-one;2-amino-3-methyl-5-phenyl-5-(4-pyrimidin-5-ylthiophen-2-yl)imidazol-4-one (CID 159684695) is (5S,6S)-2-amino-6-[2-(3-chloro-2-fluorophenyl)-4-pyridinyl]-5-(4-cyclopropylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-[2-(3-chloro-2-fluorophenyl)-4-pyridinyl]-5-(4-cyclopropylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-(4-cyclopropylphenyl)-3,6-dimethyl-6-(2-methylindazol-6-yl)-5H-pyrimidin-4-one;5-[(4S,5S)-2-amino-5-[4-(1,1-difluoroethyl)phenyl]-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophene-2-carbonitrile;(6S)-2-amino-3,6-dimethyl-6-thieno[3,2-b][1]benzofuran-2-yl-5H-pyrimidin-4-one;2-amino-3-methyl-5-phenyl-5-(4-pyrimidin-5-ylthiophen-2-yl)imidazol-4-one.
What is the SMILES notation for (5S,6S)-2-amino-6-[2-(3-chloro-2-fluorophenyl)-4-pyridinyl]-5-(4-cyclopropylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-[2-(3-chloro-2-fluorophenyl)-4-pyridinyl]-5-(4-cyclopropylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-(4-cyclopropylphenyl)-3,6-dimethyl-6-(2-methylindazol-6-yl)-5H-pyrimidin-4-one;5-[(4S,5S)-2-amino-5-[4-(1,1-difluoroethyl)phenyl]-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophene-2-carbonitrile;(6S)-2-amino-3,6-dimethyl-6-thieno[3,2-b][1]benzofuran-2-yl-5H-pyrimidin-4-one;2-amino-3-methyl-5-phenyl-5-(4-pyrimidin-5-ylthiophen-2-yl)imidazol-4-one?
The canonical SMILES for (5S,6S)-2-amino-6-[2-(3-chloro-2-fluorophenyl)-4-pyridinyl]-5-(4-cyclopropylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-[2-(3-chloro-2-fluorophenyl)-4-pyridinyl]-5-(4-cyclopropylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-(4-cyclopropylphenyl)-3,6-dimethyl-6-(2-methylindazol-6-yl)-5H-pyrimidin-4-one;5-[(4S,5S)-2-amino-5-[4-(1,1-difluoroethyl)phenyl]-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophene-2-carbonitrile;(6S)-2-amino-3,6-dimethyl-6-thieno[3,2-b][1]benzofuran-2-yl-5H-pyrimidin-4-one;2-amino-3-methyl-5-phenyl-5-(4-pyrimidin-5-ylthiophen-2-yl)imidazol-4-one is CN1C(=O)C(c2ccccc2)(c2cc(-c3cncnc3)cs2)N=C1N.CN1C(=O)C[C@@](C)(c2cc3oc4ccccc4c3s2)N=C1N.CN1C(=O)[C@@H](c2ccc(C(C)(F)F)cc2)[C@@](C)(c2ccc(C#N)s2)N=C1N.CN1C(=O)[C@@H](c2ccc(C3CC3)cc2)[C@@](C)(c2ccnc(-c3cccc(Cl)c3F)c2)N=C1N.CN1C(=O)[C@H](c2ccc(C3CC3)cc2)[C@@](C)(c2ccc3cn(C)nc3c2)N=C1N.CN1C(=O)[C@H](c2ccc(C3CC3)cc2)[C@@](C)(c2ccnc(-c3cccc(Cl)c3F)c2)N=C1N.
What is the InChIKey of (5S,6S)-2-amino-6-[2-(3-chloro-2-fluorophenyl)-4-pyridinyl]-5-(4-cyclopropylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-[2-(3-chloro-2-fluorophenyl)-4-pyridinyl]-5-(4-cyclopropylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-(4-cyclopropylphenyl)-3,6-dimethyl-6-(2-methylindazol-6-yl)-5H-pyrimidin-4-one;5-[(4S,5S)-2-amino-5-[4-(1,1-difluoroethyl)phenyl]-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophene-2-carbonitrile;(6S)-2-amino-3,6-dimethyl-6-thieno[3,2-b][1]benzofuran-2-yl-5H-pyrimidin-4-one;2-amino-3-methyl-5-phenyl-5-(4-pyrimidin-5-ylthiophen-2-yl)imidazol-4-one?
The InChIKey is MVQHXDSNHGSPEB-QXEQHGADSA-N. The full InChI is InChI=1S/2C26H24ClFN4O.C23H25N5O.C19H18F2N4OS.C18H15N5OS.C16H15N3O2S/c2*1-26(18-12-13-30-21(14-18)19-4-3-5-20(27)23(19)28)22(24(33)32(2)25(29)31-26)17-10-8-16(9-11-17)15-6-7-15;1-23(18-11-10-17-13-27(2)26-19(17)12-18)20(21(29)28(3)22(24)25-23)16-8-6-15(7-9-16)14-4-5-14;1-18(14-9-8-13(10-22)27-14)15(16(26)25(3)17(23)24-18)11-4-6-12(7-5-11)19(2,20)21;1-23-16(24)18(22-17(23)19,14-5-3-2-4-6-14)15-7-12(10-25-15)13-8-20-11-21-9-13;1-16(8-13(20)19(2)15(17)18-16)12-7-11-14(22-12)9-5-3-4-6-10(9)21-11/h2*3-5,8-15,22H,6-7H2,1-2H3,(H2,29,31);6-14,20H,4-5H2,1-3H3,(H2,24,25);4-9,15H,1-3H3,(H2,23,24);2-11H,1H3,(H2,19,22);3-7H,8H2,1-2H3,(H2,17,18)/t22-,26+;22-,26-;20-,23+;15-,18-;;16-/m0101.0/s1.
What are the key properties of (5S,6S)-2-amino-6-[2-(3-chloro-2-fluorophenyl)-4-pyridinyl]-5-(4-cyclopropylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-[2-(3-chloro-2-fluorophenyl)-4-pyridinyl]-5-(4-cyclopropylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-(4-cyclopropylphenyl)-3,6-dimethyl-6-(2-methylindazol-6-yl)-5H-pyrimidin-4-one;5-[(4S,5S)-2-amino-5-[4-(1,1-difluoroethyl)phenyl]-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophene-2-carbonitrile;(6S)-2-amino-3,6-dimethyl-6-thieno[3,2-b][1]benzofuran-2-yl-5H-pyrimidin-4-one;2-amino-3-methyl-5-phenyl-5-(4-pyrimidin-5-ylthiophen-2-yl)imidazol-4-one?
(5S,6S)-2-amino-6-[2-(3-chloro-2-fluorophenyl)-4-pyridinyl]-5-(4-cyclopropylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-[2-(3-chloro-2-fluorophenyl)-4-pyridinyl]-5-(4-cyclopropylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-(4-cyclopropylphenyl)-3,6-dimethyl-6-(2-methylindazol-6-yl)-5H-pyrimidin-4-one;5-[(4S,5S)-2-amino-5-[4-(1,1-difluoroethyl)phenyl]-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophene-2-carbonitrile;(6S)-2-amino-3,6-dimethyl-6-thieno[3,2-b][1]benzofuran-2-yl-5H-pyrimidin-4-one;2-amino-3-methyl-5-phenyl-5-(4-pyrimidin-5-ylthiophen-2-yl)imidazol-4-one has a molecular weight of 2364.64 g/mol, XLogP of 22.44, 18 rotatable bonds, 6 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6S)-2-amino-6-[2-(3-chloro-2-fluorophenyl)-4-pyridinyl]-5-(4-cyclopropylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-[2-(3-chloro-2-fluorophenyl)-4-pyridinyl]-5-(4-cyclopropylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-(4-cyclopropylphenyl)-3,6-dimethyl-6-(2-methylindazol-6-yl)-5H-pyrimidin-4-one;5-[(4S,5S)-2-amino-5-[4-(1,1-difluoroethyl)phenyl]-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophene-2-carbonitrile;(6S)-2-amino-3,6-dimethyl-6-thieno[3,2-b][1]benzofuran-2-yl-5H-pyrimidin-4-one;2-amino-3-methyl-5-phenyl-5-(4-pyrimidin-5-ylthiophen-2-yl)imidazol-4-one is sourced from PubChem (CID 159684695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).