5-[5-[(4S,5S)-2-amino-5-cyclobutyl-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]-2-fluorobenzonitrile;3-[2-[(4S,5S)-2-amino-5-(4-cyclopropylphenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-4-pyridinyl]-5-chlorobenzonitrile;(6S)-2-amino-6-(2,3-dichloro-1-benzothiophen-5-yl)-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-[3-(4-methylthiophen-2-yl)-1H-indazol-6-yl]-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-(1-propylsulfonylpiperidin-3-yl)-5H-pyrimidin-4-one

C94H103Cl3FN21O7S4 — CID 159233360

IUPAC5-[5-[(4S,5S)-2-amino-5-cyclobutyl-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]-2-fluorobenzonitrile;3-[2-[(4S,5S)-2-amino-5-(4-cyclopropylphenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-4-pyridinyl]-5-chlorobenzonitrile;(6S)-2-amino-6-(2,3-dichloro-1-benzothiophen-5-yl)-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-[3-(4-methylthiophen-2-yl)-1H-indazol-6-yl]-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-(1-propylsulfonylpiperidin-3-yl)-5H-pyrimidin-4-one
SMILESCCCS(=O)(=O)N1CCCC([C@]2(C)CC(=O)N(C)C(N)=N2)C1.CN1C(=O)C[C@@](C)(c2ccc3sc(Cl)c(Cl)c3c2)N=C1N.CN1C(=O)[C@@H](C2CCC2)[C@@](C)(c2cc(-c3ccc(F)c(C#N)c3)cs2)N=C1N.CN1C(=O)[C@@H](c2ccc(C3CC3)cc2)[C@@](C)(c2cc(-c3cc(Cl)cc(C#N)c3)ccn2)N=C1N.Cc1csc(-c2n[nH]c3cc([C@]4(C)CC(=O)N(C)C(N)=N4)ccc23)c1
InChIInChI=1S/C27H24ClN5O.C21H21FN4OS.C18H19N5OS.C14H13Cl2N3OS.C14H26N4O3S/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(18(12-4-3-5-12)19(27)26(2)20(24)25-21)17-9-15(11-28-17)13-6-7-16(22)14(8-13)10-23;1-10-6-14(25-9-10)16-12-5-4-11(7-13(12)21-22-16)18(2)8-15(24)23(3)17(19)20-18;1-14(6-10(20)19(2)13(17)18-14)7-3-4-9-8(5-7)11(15)12(16)21-9;1-4-8-22(20,21)18-7-5-6-11(10-18)14(2)9-12(19)17(3)13(15)16-14/h5-14,17,24H,3-4H2,1-2H3,(H2,30,32);6-9,11-12,18H,3-5H2,1-2H3,(H2,24,25);4-7,9H,8H2,1-3H3,(H2,19,20)(H,21,22);3-5H,6H2,1-2H3,(H2,17,18);11H,4-10H2,1-3H3,(H2,15,16)/t24-,27-;18-,21-;18-;14-;11?,14-/m11000/s1
InChIKeyKTEDMUXOFXQJEL-PILVGVROSA-N
MW1892.62 g/mol
LogP15.75
Rot. Bonds14

About 5-[5-[(4S,5S)-2-amino-5-cyclobutyl-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]-2-fluorobenzonitrile;3-[2-[(4S,5S)-2-amino-5-(4-cyclopropylphenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-4-pyridinyl]-5-chlorobenzonitrile;(6S)-2-amino-6-(2,3-dichloro-1-benzothiophen-5-yl)-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-[3-(4-methylthiophen-2-yl)-1H-indazol-6-yl]-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-(1-propylsulfonylpiperidin-3-yl)-5H-pyrimidin-4-one

5-[5-[(4S,5S)-2-amino-5-cyclobutyl-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]-2-fluorobenzonitrile;3-[2-[(4S,5S)-2-amino-5-(4-cyclopropylphenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-4-pyridinyl]-5-chlorobenzonitrile;(6S)-2-amino-6-(2,3-dichloro-1-benzothiophen-5-yl)-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-[3-(4-methylthiophen-2-yl)-1H-indazol-6-yl]-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-(1-propylsulfonylpiperidin-3-yl)-5H-pyrimidin-4-one (PubChem CID 159233360) has the molecular formula C94H103Cl3FN21O7S4 and a molecular weight of 1892.62 g/mol. Its IUPAC name is 5-[5-[(4S,5S)-2-amino-5-cyclobutyl-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]-2-fluorobenzonitrile;3-[2-[(4S,5S)-2-amino-5-(4-cyclopropylphenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-4-pyridinyl]-5-chlorobenzonitrile;(6S)-2-amino-6-(2,3-dichloro-1-benzothiophen-5-yl)-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-[3-(4-methylthiophen-2-yl)-1H-indazol-6-yl]-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-(1-propylsulfonylpiperidin-3-yl)-5H-pyrimidin-4-one.

Molecular Properties

Compound Name5-[5-[(4S,5S)-2-amino-5-cyclobutyl-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]-2-fluorobenzonitrile;3-[2-[(4S,5S)-2-amino-5-(4-cyclopropylphenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-4-pyridinyl]-5-chlorobenzonitrile;(6S)-2-amino-6-(2,3-dichloro-1-benzothiophen-5-yl)-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-[3-(4-methylthiophen-2-yl)-1H-indazol-6-yl]-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-(1-propylsulfonylpiperidin-3-yl)-5H-pyrimidin-4-one
PubChem CID159233360
Molecular FormulaC94H103Cl3FN21O7S4
Molecular Weight1892.62 g/mol
Exact Mass1889.63
IUPAC Name5-[5-[(4S,5S)-2-amino-5-cyclobutyl-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]-2-fluorobenzonitrile;3-[2-[(4S,5S)-2-amino-5-(4-cyclopropylphenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-4-pyridinyl]-5-chlorobenzonitrile;(6S)-2-amino-6-(2,3-dichloro-1-benzothiophen-5-yl)-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-[3-(4-methylthiophen-2-yl)-1H-indazol-6-yl]-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-(1-propylsulfonylpiperidin-3-yl)-5H-pyrimidin-4-one
SMILESCCCS(=O)(=O)N1CCCC([C@]2(C)CC(=O)N(C)C(N)=N2)C1.CN1C(=O)C[C@@](C)(c2ccc3sc(Cl)c(Cl)c3c2)N=C1N.CN1C(=O)[C@@H](C2CCC2)[C@@](C)(c2cc(-c3ccc(F)c(C#N)c3)cs2)N=C1N.CN1C(=O)[C@@H](c2ccc(C3CC3)cc2)[C@@](C)(c2cc(-c3cc(Cl)cc(C#N)c3)ccn2)N=C1N.Cc1csc(-c2n[nH]c3cc([C@]4(C)CC(=O)N(C)C(N)=N4)ccc23)c1
InChIInChI=1S/C27H24ClN5O.C21H21FN4OS.C18H19N5OS.C14H13Cl2N3OS.C14H26N4O3S/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(18(12-4-3-5-12)19(27)26(2)20(24)25-21)17-9-15(11-28-17)13-6-7-16(22)14(8-13)10-23;1-10-6-14(25-9-10)16-12-5-4-11(7-13(12)21-22-16)18(2)8-15(24)23(3)17(19)20-18;1-14(6-10(20)19(2)13(17)18-14)7-3-4-9-8(5-7)11(15)12(16)21-9;1-4-8-22(20,21)18-7-5-6-11(10-18)14(2)9-12(19)17(3)13(15)16-14/h5-14,17,24H,3-4H2,1-2H3,(H2,30,32);6-9,11-12,18H,3-5H2,1-2H3,(H2,24,25);4-7,9H,8H2,1-3H3,(H2,19,20)(H,21,22);3-5H,6H2,1-2H3,(H2,17,18);11H,4-10H2,1-3H3,(H2,15,16)/t24-,27-;18-,21-;18-;14-;11?,14-/m11000/s1
InChIKeyKTEDMUXOFXQJEL-PILVGVROSA-N
XLogP15.75
TPSA419.98 Ų
H-Bond Donors6
H-Bond Acceptors24
Rotatable Bonds14
Heavy Atoms130
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001892.62
LogP ≤ 515.75
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1024

Analyze 5-[5-[(4S,5S)-2-amino-5-cyclobutyl-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]-2-fluorobenzonitrile;3-[2-[(4S,5S)-2-amino-5-(4-cyclopropylphenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-4-pyridinyl]-5-chlorobenzonitrile;(6S)-2-amino-6-(2,3-dichloro-1-benzothiophen-5-yl)-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-[3-(4-methylthiophen-2-yl)-1H-indazol-6-yl]-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-(1-propylsulfonylpiperidin-3-yl)-5H-pyrimidin-4-one with MolForge

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Related Compounds

(5S,6S)-2-amino-6-[4-(3-chloro-4-fluorophenyl)thiophen-2-yl]-5-cyclopropyl-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-cyclopropyl-3,6-dimethyl-6-[5-[3-(trifluoromethyl)phenyl]thiophen-2-yl]-5H-pyrimidin-4-one;(6S)-2-amino-5-(cyclopropylmethyl)-6-(1H-indazol-6-yl)-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-5-(4-cyclopropylphenyl)-3,6-dimethyl-6-(4-pyrazin-2-ylthiophen-2-yl)-5H-pyrimidin-4-one;(5R,6S)-2-amino-3,6-dimethyl-5-(4-propan-2-ylphenyl)-6-(4-pyrimidin-5-ylthiophen-2-yl)-5H-pyrimidin-4-one
CID 157529265
(6S)-2-amino-6-[7-(3-chlorophenyl)-1-benzothiophen-5-yl]-3,6-dimethyl-5H-pyrimidin-4-one;5-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-1-benzothiophen-3-yl]thiophene-2-carbonitrile;(6S)-2-amino-3,6-dimethyl-6-[1-(3-phenylpropyl)piperidin-3-yl]-5H-pyrimidin-4-one;2-amino-5,5-diphenyl-3-(3-piperidin-1-ylpropyl)imidazol-4-one;(6S)-2-amino-6-(1-ethylindazol-6-yl)-3,6-dimethyl-5H-pyrimidin-4-one;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-[2-(dimethylamino)ethyl]benzamide
CID 158970202
(5S)-2-amino-5-(cyclohexylmethyl)-5-cyclopropyl-3-methylimidazol-4-one;3-[5-[(4S,5S)-2-amino-1,4-dimethyl-6-oxo-5-(4-propan-2-ylsulfonylphenyl)-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;3-[5-[(4S,5R)-2-amino-1,4-dimethyl-6-oxo-5-(4-propan-2-ylsulfonylphenyl)-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;(6S)-2-amino-3,6-dimethyl-6-(3-pentyl-2H-indazol-5-yl)-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-(4-pyridin-3-yl-2-pyridinyl)-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-[1-(thiophene-2-carbonyl)piperidin-3-yl]-5H-pyrimidin-4-one
CID 160835446
3-[4-[(4S,5R)-2-amino-5-(4-tert-butylphenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]pyrazol-1-yl]benzonitrile;(6S)-2-amino-3,6-dimethyl-6-[3-(3-methylbutyl)-2H-indazol-5-yl]-5H-pyrimidin-4-one;3-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-N-(3-chlorophenyl)piperidine-1-carboxamide;3-[5-[(4S,5S)-2-amino-1,4-dimethyl-6-oxo-5-thiophen-2-yl-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;2-amino-5,5-diphenyl-3-(2-pyridin-4-ylethyl)imidazol-4-one
CID 161201673
4-[(4S,5S)-2-amino-5-(4-cyclopropylphenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]pyridine-2-carbonitrile;(6S)-2-amino-3,6-dimethyl-6-(1-oxo-1-benzothiophen-5-yl)-5H-pyrimidin-4-one;1-[[4-[(2-amino-4,4-dimethyl-5-oxoimidazol-1-yl)methyl]phenyl]methyl]-3-(3-fluorophenyl)urea;3-[4-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]pyrazol-1-yl]-5-chlorobenzonitrile;N-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]-2-thiophen-2-ylacetamide
CID 162113559

Frequently Asked Questions

What is the IUPAC name of 5-[5-[(4S,5S)-2-amino-5-cyclobutyl-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]-2-fluorobenzonitrile;3-[2-[(4S,5S)-2-amino-5-(4-cyclopropylphenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-4-pyridinyl]-5-chlorobenzonitrile;(6S)-2-amino-6-(2,3-dichloro-1-benzothiophen-5-yl)-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-[3-(4-methylthiophen-2-yl)-1H-indazol-6-yl]-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-(1-propylsulfonylpiperidin-3-yl)-5H-pyrimidin-4-one?
The IUPAC name of 5-[5-[(4S,5S)-2-amino-5-cyclobutyl-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]-2-fluorobenzonitrile;3-[2-[(4S,5S)-2-amino-5-(4-cyclopropylphenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-4-pyridinyl]-5-chlorobenzonitrile;(6S)-2-amino-6-(2,3-dichloro-1-benzothiophen-5-yl)-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-[3-(4-methylthiophen-2-yl)-1H-indazol-6-yl]-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-(1-propylsulfonylpiperidin-3-yl)-5H-pyrimidin-4-one (CID 159233360) is 5-[5-[(4S,5S)-2-amino-5-cyclobutyl-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]-2-fluorobenzonitrile;3-[2-[(4S,5S)-2-amino-5-(4-cyclopropylphenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-4-pyridinyl]-5-chlorobenzonitrile;(6S)-2-amino-6-(2,3-dichloro-1-benzothiophen-5-yl)-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-[3-(4-methylthiophen-2-yl)-1H-indazol-6-yl]-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-(1-propylsulfonylpiperidin-3-yl)-5H-pyrimidin-4-one.
What is the SMILES notation for 5-[5-[(4S,5S)-2-amino-5-cyclobutyl-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]-2-fluorobenzonitrile;3-[2-[(4S,5S)-2-amino-5-(4-cyclopropylphenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-4-pyridinyl]-5-chlorobenzonitrile;(6S)-2-amino-6-(2,3-dichloro-1-benzothiophen-5-yl)-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-[3-(4-methylthiophen-2-yl)-1H-indazol-6-yl]-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-(1-propylsulfonylpiperidin-3-yl)-5H-pyrimidin-4-one?
The canonical SMILES for 5-[5-[(4S,5S)-2-amino-5-cyclobutyl-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]-2-fluorobenzonitrile;3-[2-[(4S,5S)-2-amino-5-(4-cyclopropylphenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-4-pyridinyl]-5-chlorobenzonitrile;(6S)-2-amino-6-(2,3-dichloro-1-benzothiophen-5-yl)-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-[3-(4-methylthiophen-2-yl)-1H-indazol-6-yl]-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-(1-propylsulfonylpiperidin-3-yl)-5H-pyrimidin-4-one is CCCS(=O)(=O)N1CCCC([C@]2(C)CC(=O)N(C)C(N)=N2)C1.CN1C(=O)C[C@@](C)(c2ccc3sc(Cl)c(Cl)c3c2)N=C1N.CN1C(=O)[C@@H](C2CCC2)[C@@](C)(c2cc(-c3ccc(F)c(C#N)c3)cs2)N=C1N.CN1C(=O)[C@@H](c2ccc(C3CC3)cc2)[C@@](C)(c2cc(-c3cc(Cl)cc(C#N)c3)ccn2)N=C1N.Cc1csc(-c2n[nH]c3cc([C@]4(C)CC(=O)N(C)C(N)=N4)ccc23)c1.
What is the InChIKey of 5-[5-[(4S,5S)-2-amino-5-cyclobutyl-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]-2-fluorobenzonitrile;3-[2-[(4S,5S)-2-amino-5-(4-cyclopropylphenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-4-pyridinyl]-5-chlorobenzonitrile;(6S)-2-amino-6-(2,3-dichloro-1-benzothiophen-5-yl)-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-[3-(4-methylthiophen-2-yl)-1H-indazol-6-yl]-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-(1-propylsulfonylpiperidin-3-yl)-5H-pyrimidin-4-one?
The InChIKey is KTEDMUXOFXQJEL-PILVGVROSA-N. The full InChI is InChI=1S/C27H24ClN5O.C21H21FN4OS.C18H19N5OS.C14H13Cl2N3OS.C14H26N4O3S/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(18(12-4-3-5-12)19(27)26(2)20(24)25-21)17-9-15(11-28-17)13-6-7-16(22)14(8-13)10-23;1-10-6-14(25-9-10)16-12-5-4-11(7-13(12)21-22-16)18(2)8-15(24)23(3)17(19)20-18;1-14(6-10(20)19(2)13(17)18-14)7-3-4-9-8(5-7)11(15)12(16)21-9;1-4-8-22(20,21)18-7-5-6-11(10-18)14(2)9-12(19)17(3)13(15)16-14/h5-14,17,24H,3-4H2,1-2H3,(H2,30,32);6-9,11-12,18H,3-5H2,1-2H3,(H2,24,25);4-7,9H,8H2,1-3H3,(H2,19,20)(H,21,22);3-5H,6H2,1-2H3,(H2,17,18);11H,4-10H2,1-3H3,(H2,15,16)/t24-,27-;18-,21-;18-;14-;11?,14-/m11000/s1.
What are the key properties of 5-[5-[(4S,5S)-2-amino-5-cyclobutyl-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]-2-fluorobenzonitrile;3-[2-[(4S,5S)-2-amino-5-(4-cyclopropylphenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-4-pyridinyl]-5-chlorobenzonitrile;(6S)-2-amino-6-(2,3-dichloro-1-benzothiophen-5-yl)-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-[3-(4-methylthiophen-2-yl)-1H-indazol-6-yl]-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-(1-propylsulfonylpiperidin-3-yl)-5H-pyrimidin-4-one?
5-[5-[(4S,5S)-2-amino-5-cyclobutyl-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]-2-fluorobenzonitrile;3-[2-[(4S,5S)-2-amino-5-(4-cyclopropylphenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-4-pyridinyl]-5-chlorobenzonitrile;(6S)-2-amino-6-(2,3-dichloro-1-benzothiophen-5-yl)-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-[3-(4-methylthiophen-2-yl)-1H-indazol-6-yl]-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-(1-propylsulfonylpiperidin-3-yl)-5H-pyrimidin-4-one has a molecular weight of 1892.62 g/mol, XLogP of 15.75, 14 rotatable bonds, 6 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[(4S,5S)-2-amino-5-cyclobutyl-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]-2-fluorobenzonitrile;3-[2-[(4S,5S)-2-amino-5-(4-cyclopropylphenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-4-pyridinyl]-5-chlorobenzonitrile;(6S)-2-amino-6-(2,3-dichloro-1-benzothiophen-5-yl)-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-[3-(4-methylthiophen-2-yl)-1H-indazol-6-yl]-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-(1-propylsulfonylpiperidin-3-yl)-5H-pyrimidin-4-one is sourced from PubChem (CID 159233360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).