(5S,6S)-2-amino-6-(2-chlorophenyl)-5-[4-(1,1-difluoroethyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-(2-chlorophenyl)-5-[4-(1,1-difluoroethyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one;3-[2-[(4S,5R)-2-amino-5-(4-cyclopropylphenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-4-pyridinyl]-5-chlorobenzonitrile;4-[2-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-1-benzothiophen-7-yl]benzonitrile;3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-2-chlorothiophen-3-yl]-5-chlorobenzonitrile

C105H96Cl5F4N19O5S2 — CID 157356204

IUPAC(5S,6S)-2-amino-6-(2-chlorophenyl)-5-[4-(1,1-difluoroethyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-(2-chlorophenyl)-5-[4-(1,1-difluoroethyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one;3-[2-[(4S,5R)-2-amino-5-(4-cyclopropylphenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-4-pyridinyl]-5-chlorobenzonitrile;4-[2-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-1-benzothiophen-7-yl]benzonitrile;3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-2-chlorothiophen-3-yl]-5-chlorobenzonitrile
SMILESCN1C(=O)C[C@@](C)(c2cc(-c3cc(Cl)cc(C#N)c3)c(Cl)s2)N=C1N.CN1C(=O)C[C@@](C)(c2cc3cccc(-c4ccc(C#N)cc4)c3s2)N=C1N.CN1C(=O)[C@@H](c2ccc(C(C)(F)F)cc2)[C@@](C)(c2ccccc2Cl)N=C1N.CN1C(=O)[C@H](c2ccc(C(C)(F)F)cc2)[C@@](C)(c2ccccc2Cl)N=C1N.CN1C(=O)[C@H](c2ccc(C3CC3)cc2)[C@@](C)(c2cc(-c3cc(Cl)cc(C#N)c3)ccn2)N=C1N
InChIInChI=1S/C27H24ClN5O.C21H18N4OS.2C20H20ClF2N3O.C17H14Cl2N4OS/c1-27(23-14-20(9-10-31-23)21-11-16(15-29)12-22(28)13-21)24(25(34)33(2)26(30)32-27)19-7-5-18(6-8-19)17-3-4-17;1-21(11-18(26)25(2)20(23)24-21)17-10-15-4-3-5-16(19(15)27-17)14-8-6-13(12-22)7-9-14;2*1-19(14-6-4-5-7-15(14)21)16(17(27)26(3)18(24)25-19)12-8-10-13(11-9-12)20(2,22)23;1-17(7-14(24)23(2)16(21)22-17)13-6-12(15(19)25-13)10-3-9(8-20)4-11(18)5-10/h5-14,17,24H,3-4H2,1-2H3,(H2,30,32);3-10H,11H2,1-2H3,(H2,23,24);2*4-11,16H,1-3H3,(H2,24,25);3-6H,7H2,1-2H3,(H2,21,22)/t24-,27+;21-;16-,19+;16-,19-;17-/m00010/s1
InChIKeyBICMTHZOFKYGIE-PHHRMITISA-N
MW2021.44 g/mol
LogP21.23
Rot. Bonds14

About (5S,6S)-2-amino-6-(2-chlorophenyl)-5-[4-(1,1-difluoroethyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-(2-chlorophenyl)-5-[4-(1,1-difluoroethyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one;3-[2-[(4S,5R)-2-amino-5-(4-cyclopropylphenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-4-pyridinyl]-5-chlorobenzonitrile;4-[2-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-1-benzothiophen-7-yl]benzonitrile;3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-2-chlorothiophen-3-yl]-5-chlorobenzonitrile

(5S,6S)-2-amino-6-(2-chlorophenyl)-5-[4-(1,1-difluoroethyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-(2-chlorophenyl)-5-[4-(1,1-difluoroethyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one;3-[2-[(4S,5R)-2-amino-5-(4-cyclopropylphenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-4-pyridinyl]-5-chlorobenzonitrile;4-[2-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-1-benzothiophen-7-yl]benzonitrile;3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-2-chlorothiophen-3-yl]-5-chlorobenzonitrile (PubChem CID 157356204) has the molecular formula C105H96Cl5F4N19O5S2 and a molecular weight of 2021.44 g/mol. Its IUPAC name is (5S,6S)-2-amino-6-(2-chlorophenyl)-5-[4-(1,1-difluoroethyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-(2-chlorophenyl)-5-[4-(1,1-difluoroethyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one;3-[2-[(4S,5R)-2-amino-5-(4-cyclopropylphenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-4-pyridinyl]-5-chlorobenzonitrile;4-[2-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-1-benzothiophen-7-yl]benzonitrile;3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-2-chlorothiophen-3-yl]-5-chlorobenzonitrile.

Molecular Properties

Compound Name(5S,6S)-2-amino-6-(2-chlorophenyl)-5-[4-(1,1-difluoroethyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-(2-chlorophenyl)-5-[4-(1,1-difluoroethyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one;3-[2-[(4S,5R)-2-amino-5-(4-cyclopropylphenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-4-pyridinyl]-5-chlorobenzonitrile;4-[2-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-1-benzothiophen-7-yl]benzonitrile;3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-2-chlorothiophen-3-yl]-5-chlorobenzonitrile
PubChem CID157356204
Molecular FormulaC105H96Cl5F4N19O5S2
Molecular Weight2021.44 g/mol
Exact Mass2017.57
IUPAC Name(5S,6S)-2-amino-6-(2-chlorophenyl)-5-[4-(1,1-difluoroethyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-(2-chlorophenyl)-5-[4-(1,1-difluoroethyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one;3-[2-[(4S,5R)-2-amino-5-(4-cyclopropylphenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-4-pyridinyl]-5-chlorobenzonitrile;4-[2-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-1-benzothiophen-7-yl]benzonitrile;3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-2-chlorothiophen-3-yl]-5-chlorobenzonitrile
SMILESCN1C(=O)C[C@@](C)(c2cc(-c3cc(Cl)cc(C#N)c3)c(Cl)s2)N=C1N.CN1C(=O)C[C@@](C)(c2cc3cccc(-c4ccc(C#N)cc4)c3s2)N=C1N.CN1C(=O)[C@@H](c2ccc(C(C)(F)F)cc2)[C@@](C)(c2ccccc2Cl)N=C1N.CN1C(=O)[C@H](c2ccc(C(C)(F)F)cc2)[C@@](C)(c2ccccc2Cl)N=C1N.CN1C(=O)[C@H](c2ccc(C3CC3)cc2)[C@@](C)(c2cc(-c3cc(Cl)cc(C#N)c3)ccn2)N=C1N
InChIInChI=1S/C27H24ClN5O.C21H18N4OS.2C20H20ClF2N3O.C17H14Cl2N4OS/c1-27(23-14-20(9-10-31-23)21-11-16(15-29)12-22(28)13-21)24(25(34)33(2)26(30)32-27)19-7-5-18(6-8-19)17-3-4-17;1-21(11-18(26)25(2)20(23)24-21)17-10-15-4-3-5-16(19(15)27-17)14-8-6-13(12-22)7-9-14;2*1-19(14-6-4-5-7-15(14)21)16(17(27)26(3)18(24)25-19)12-8-10-13(11-9-12)20(2,22)23;1-17(7-14(24)23(2)16(21)22-17)13-6-12(15(19)25-13)10-3-9(8-20)4-11(18)5-10/h5-14,17,24H,3-4H2,1-2H3,(H2,30,32);3-10H,11H2,1-2H3,(H2,23,24);2*4-11,16H,1-3H3,(H2,24,25);3-6H,7H2,1-2H3,(H2,21,22)/t24-,27+;21-;16-,19+;16-,19-;17-/m00010/s1
InChIKeyBICMTHZOFKYGIE-PHHRMITISA-N
XLogP21.23
TPSA377.71 Ų
H-Bond Donors5
H-Bond Acceptors21
Rotatable Bonds14
Heavy Atoms140
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002021.44
LogP ≤ 521.23
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1021

Analyze (5S,6S)-2-amino-6-(2-chlorophenyl)-5-[4-(1,1-difluoroethyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-(2-chlorophenyl)-5-[4-(1,1-difluoroethyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one;3-[2-[(4S,5R)-2-amino-5-(4-cyclopropylphenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-4-pyridinyl]-5-chlorobenzonitrile;4-[2-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-1-benzothiophen-7-yl]benzonitrile;3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-2-chlorothiophen-3-yl]-5-chlorobenzonitrile with MolForge

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Related Compounds

bis((5R,6S)-2-amino-6-(5-bromo-2-chlorophenyl)-5-[4-(1,1-difluoroethyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one);5-[(4S,5S)-2-amino-4-[4-(3-cyanophenyl)thiophen-2-yl]-1,4-dimethyl-6-oxo-5H-pyrimidin-5-yl]pyridine-3-carbonitrile;5-[(4S,5R)-2-amino-4-[4-(3-cyanophenyl)thiophen-2-yl]-1,4-dimethyl-6-oxo-5H-pyrimidin-5-yl]pyridine-3-carbonitrile;2-amino-5-(4-fluoro-3-pyridin-3-ylphenyl)-3,5-dimethylimidazol-4-one
CID 158976564
3-[5-[(4S)-2-amino-5-(4-tert-butylphenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]-5-chlorobenzonitrile;(5S,6S)-2-amino-6-(2,4-difluorophenyl)-3,6-dimethyl-5-[4-(trifluoromethyl)phenyl]-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-(3-methyl-4-pyridin-3-ylthiophen-2-yl)-5H-pyrimidin-4-one;3-[5-[(4S)-2-amino-1-ethyl-4-methyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;2-amino-3-[(4-methylphenyl)methyl]-5,5-diphenylimidazol-4-one
CID 161805389
(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
(5S,6S)-2-amino-6-[2-(5-chloro-3-pyridinyl)-4-pyridinyl]-5-(4-cyclopropylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-[2-(5-chloro-3-pyridinyl)-4-pyridinyl]-5-(4-cyclopropylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;3-[5-[(4S,5S)-2-amino-1,4-dimethyl-6-oxo-5-phenyl-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;3-[5-[(4S,5R)-2-amino-1,4-dimethyl-6-oxo-5-phenyl-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile
CID 160219824
(6S)-2-amino-6-(1-benzylpiperidin-3-yl)-3,6-dimethyl-5H-pyrimidin-4-one;(5S,6S)-2-amino-5-(4-tert-butylphenyl)-6-[2-(2-fluoro-3-pyridinyl)-4-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-(4-tert-butylphenyl)-6-[2-(2-fluoro-3-pyridinyl)-4-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-[1-[(3-chlorophenyl)methyl]piperidin-3-yl]-3,6-dimethyl-5H-pyrimidin-4-one;3-[5-[(4S)-2-amino-5-[3-(3-fluorophenyl)propyl]-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile
CID 160941505
3-[5-[(4S)-2-amino-5-(4-bromophenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;2-amino-5-[3-(3-chlorophenyl)phenyl]-3-methyl-5-pyridin-4-ylimidazol-4-one;3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-2-chlorothiophen-3-yl]benzonitrile;1-[4-[(4S,5S)-2-amino-4-(3-fluorophenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-5-yl]phenyl]cyclopropane-1-carbonitrile;1-[4-[(4S,5R)-2-amino-4-(3-fluorophenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-5-yl]phenyl]cyclopropane-1-carbonitrile
CID 161238537

Frequently Asked Questions

What is the IUPAC name of (5S,6S)-2-amino-6-(2-chlorophenyl)-5-[4-(1,1-difluoroethyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-(2-chlorophenyl)-5-[4-(1,1-difluoroethyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one;3-[2-[(4S,5R)-2-amino-5-(4-cyclopropylphenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-4-pyridinyl]-5-chlorobenzonitrile;4-[2-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-1-benzothiophen-7-yl]benzonitrile;3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-2-chlorothiophen-3-yl]-5-chlorobenzonitrile?
The IUPAC name of (5S,6S)-2-amino-6-(2-chlorophenyl)-5-[4-(1,1-difluoroethyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-(2-chlorophenyl)-5-[4-(1,1-difluoroethyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one;3-[2-[(4S,5R)-2-amino-5-(4-cyclopropylphenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-4-pyridinyl]-5-chlorobenzonitrile;4-[2-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-1-benzothiophen-7-yl]benzonitrile;3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-2-chlorothiophen-3-yl]-5-chlorobenzonitrile (CID 157356204) is (5S,6S)-2-amino-6-(2-chlorophenyl)-5-[4-(1,1-difluoroethyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-(2-chlorophenyl)-5-[4-(1,1-difluoroethyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one;3-[2-[(4S,5R)-2-amino-5-(4-cyclopropylphenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-4-pyridinyl]-5-chlorobenzonitrile;4-[2-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-1-benzothiophen-7-yl]benzonitrile;3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-2-chlorothiophen-3-yl]-5-chlorobenzonitrile.
What is the SMILES notation for (5S,6S)-2-amino-6-(2-chlorophenyl)-5-[4-(1,1-difluoroethyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-(2-chlorophenyl)-5-[4-(1,1-difluoroethyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one;3-[2-[(4S,5R)-2-amino-5-(4-cyclopropylphenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-4-pyridinyl]-5-chlorobenzonitrile;4-[2-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-1-benzothiophen-7-yl]benzonitrile;3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-2-chlorothiophen-3-yl]-5-chlorobenzonitrile?
The canonical SMILES for (5S,6S)-2-amino-6-(2-chlorophenyl)-5-[4-(1,1-difluoroethyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-(2-chlorophenyl)-5-[4-(1,1-difluoroethyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one;3-[2-[(4S,5R)-2-amino-5-(4-cyclopropylphenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-4-pyridinyl]-5-chlorobenzonitrile;4-[2-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-1-benzothiophen-7-yl]benzonitrile;3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-2-chlorothiophen-3-yl]-5-chlorobenzonitrile is CN1C(=O)C[C@@](C)(c2cc(-c3cc(Cl)cc(C#N)c3)c(Cl)s2)N=C1N.CN1C(=O)C[C@@](C)(c2cc3cccc(-c4ccc(C#N)cc4)c3s2)N=C1N.CN1C(=O)[C@@H](c2ccc(C(C)(F)F)cc2)[C@@](C)(c2ccccc2Cl)N=C1N.CN1C(=O)[C@H](c2ccc(C(C)(F)F)cc2)[C@@](C)(c2ccccc2Cl)N=C1N.CN1C(=O)[C@H](c2ccc(C3CC3)cc2)[C@@](C)(c2cc(-c3cc(Cl)cc(C#N)c3)ccn2)N=C1N.
What is the InChIKey of (5S,6S)-2-amino-6-(2-chlorophenyl)-5-[4-(1,1-difluoroethyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-(2-chlorophenyl)-5-[4-(1,1-difluoroethyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one;3-[2-[(4S,5R)-2-amino-5-(4-cyclopropylphenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-4-pyridinyl]-5-chlorobenzonitrile;4-[2-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-1-benzothiophen-7-yl]benzonitrile;3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-2-chlorothiophen-3-yl]-5-chlorobenzonitrile?
The InChIKey is BICMTHZOFKYGIE-PHHRMITISA-N. The full InChI is InChI=1S/C27H24ClN5O.C21H18N4OS.2C20H20ClF2N3O.C17H14Cl2N4OS/c1-27(23-14-20(9-10-31-23)21-11-16(15-29)12-22(28)13-21)24(25(34)33(2)26(30)32-27)19-7-5-18(6-8-19)17-3-4-17;1-21(11-18(26)25(2)20(23)24-21)17-10-15-4-3-5-16(19(15)27-17)14-8-6-13(12-22)7-9-14;2*1-19(14-6-4-5-7-15(14)21)16(17(27)26(3)18(24)25-19)12-8-10-13(11-9-12)20(2,22)23;1-17(7-14(24)23(2)16(21)22-17)13-6-12(15(19)25-13)10-3-9(8-20)4-11(18)5-10/h5-14,17,24H,3-4H2,1-2H3,(H2,30,32);3-10H,11H2,1-2H3,(H2,23,24);2*4-11,16H,1-3H3,(H2,24,25);3-6H,7H2,1-2H3,(H2,21,22)/t24-,27+;21-;16-,19+;16-,19-;17-/m00010/s1.
What are the key properties of (5S,6S)-2-amino-6-(2-chlorophenyl)-5-[4-(1,1-difluoroethyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-(2-chlorophenyl)-5-[4-(1,1-difluoroethyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one;3-[2-[(4S,5R)-2-amino-5-(4-cyclopropylphenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-4-pyridinyl]-5-chlorobenzonitrile;4-[2-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-1-benzothiophen-7-yl]benzonitrile;3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-2-chlorothiophen-3-yl]-5-chlorobenzonitrile?
(5S,6S)-2-amino-6-(2-chlorophenyl)-5-[4-(1,1-difluoroethyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-(2-chlorophenyl)-5-[4-(1,1-difluoroethyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one;3-[2-[(4S,5R)-2-amino-5-(4-cyclopropylphenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-4-pyridinyl]-5-chlorobenzonitrile;4-[2-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-1-benzothiophen-7-yl]benzonitrile;3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-2-chlorothiophen-3-yl]-5-chlorobenzonitrile has a molecular weight of 2021.44 g/mol, XLogP of 21.23, 14 rotatable bonds, 5 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6S)-2-amino-6-(2-chlorophenyl)-5-[4-(1,1-difluoroethyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-(2-chlorophenyl)-5-[4-(1,1-difluoroethyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one;3-[2-[(4S,5R)-2-amino-5-(4-cyclopropylphenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-4-pyridinyl]-5-chlorobenzonitrile;4-[2-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-1-benzothiophen-7-yl]benzonitrile;3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-2-chlorothiophen-3-yl]-5-chlorobenzonitrile is sourced from PubChem (CID 157356204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).