(6S)-2-amino-6-(1-benzylpiperidin-3-yl)-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;(6S)-2-amino-6-[3-[3-(2,3-dihydro-1H-tetrazol-5-yl)phenyl]phenyl]-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

C107H125ClF2N24O5S — CID 158275241

IUPAC(6S)-2-amino-6-(1-benzylpiperidin-3-yl)-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;(6S)-2-amino-6-[3-[3-(2,3-dihydro-1H-tetrazol-5-yl)phenyl]phenyl]-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
SMILESCN1C(=O)C(CCCc2cccc(F)c2)[C@@](C)(c2cc(-c3cccc(C#N)c3)cs2)N=C1N.CN1C(=O)C[C@@](C)(C2CCCN(Cc3cccc(Cl)c3)C2)N=C1N.CN1C(=O)C[C@@](C)(C2CCCN(Cc3ccccc3)C2)N=C1N.CN1C(=O)C[C@@](C)(c2cccc(-c3cccc(C4=NNNN4)c3)c2)N=C1N.CN1C(=O)[C@H](c2ccc(C(C)(C)C)cc2)[C@@](C)(c2ccnc(-c3cccnc3F)c2)N=C1N
InChIInChI=1S/C26H28FN5O.C26H25FN4OS.C19H21N7O.C18H25ClN4O.C18H26N4O/c1-25(2,3)17-10-8-16(9-11-17)21-23(33)32(5)24(28)31-26(21,4)18-12-14-29-20(15-18)19-7-6-13-30-22(19)27;1-26(23-14-20(16-33-23)19-9-3-8-18(12-19)15-28)22(24(32)31(2)25(29)30-26)11-5-7-17-6-4-10-21(27)13-17;1-19(11-16(27)26(2)18(20)21-19)15-8-4-6-13(10-15)12-5-3-7-14(9-12)17-22-24-25-23-17;1-18(10-16(24)22(2)17(20)21-18)14-6-4-8-23(12-14)11-13-5-3-7-15(19)9-13;1-18(11-16(23)21(2)17(19)20-18)15-9-6-10-22(13-15)12-14-7-4-3-5-8-14/h6-15,21H,1-5H3,(H2,28,31);3-4,6,8-10,12-14,16,22H,5,7,11H2,1-2H3,(H2,29,30);3-10,24-25H,11H2,1-2H3,(H2,20,21)(H,22,23);3,5,7,9,14H,4,6,8,10-12H2,1-2H3,(H2,20,21);3-5,7-8,15H,6,9-13H2,1-2H3,(H2,19,20)/t21-,26+;22?,26-;19-;14?,18-;15?,18-/m00000/s1
InChIKeyGJNKAKAZNJWSNB-YYRYSHJMSA-N
MW1932.86 g/mol
LogP14.77
Rot. Bonds18

About (6S)-2-amino-6-(1-benzylpiperidin-3-yl)-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;(6S)-2-amino-6-[3-[3-(2,3-dihydro-1H-tetrazol-5-yl)phenyl]phenyl]-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

(6S)-2-amino-6-(1-benzylpiperidin-3-yl)-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;(6S)-2-amino-6-[3-[3-(2,3-dihydro-1H-tetrazol-5-yl)phenyl]phenyl]-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 (PubChem CID 158275241) has the molecular formula C107H125ClF2N24O5S and a molecular weight of 1932.86 g/mol. Its IUPAC name is (6S)-2-amino-6-(1-benzylpiperidin-3-yl)-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;(6S)-2-amino-6-[3-[3-(2,3-dihydro-1H-tetrazol-5-yl)phenyl]phenyl]-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.

Molecular Properties

Compound Name(6S)-2-amino-6-(1-benzylpiperidin-3-yl)-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;(6S)-2-amino-6-[3-[3-(2,3-dihydro-1H-tetrazol-5-yl)phenyl]phenyl]-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
PubChem CID158275241
Molecular FormulaC107H125ClF2N24O5S
Molecular Weight1932.86 g/mol
Exact Mass1930.96
IUPAC Name(6S)-2-amino-6-(1-benzylpiperidin-3-yl)-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;(6S)-2-amino-6-[3-[3-(2,3-dihydro-1H-tetrazol-5-yl)phenyl]phenyl]-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
SMILESCN1C(=O)C(CCCc2cccc(F)c2)[C@@](C)(c2cc(-c3cccc(C#N)c3)cs2)N=C1N.CN1C(=O)C[C@@](C)(C2CCCN(Cc3cccc(Cl)c3)C2)N=C1N.CN1C(=O)C[C@@](C)(C2CCCN(Cc3ccccc3)C2)N=C1N.CN1C(=O)C[C@@](C)(c2cccc(-c3cccc(C4=NNNN4)c3)c2)N=C1N.CN1C(=O)[C@H](c2ccc(C(C)(C)C)cc2)[C@@](C)(c2ccnc(-c3cccnc3F)c2)N=C1N
InChIInChI=1S/C26H28FN5O.C26H25FN4OS.C19H21N7O.C18H25ClN4O.C18H26N4O/c1-25(2,3)17-10-8-16(9-11-17)21-23(33)32(5)24(28)31-26(21,4)18-12-14-29-20(15-18)19-7-6-13-30-22(19)27;1-26(23-14-20(16-33-23)19-9-3-8-18(12-19)15-28)22(24(32)31(2)25(29)30-26)11-5-7-17-6-4-10-21(27)13-17;1-19(11-16(27)26(2)18(20)21-19)15-8-4-6-13(10-15)12-5-3-7-14(9-12)17-22-24-25-23-17;1-18(10-16(24)22(2)17(20)21-18)14-6-4-8-23(12-14)11-13-5-3-7-15(19)9-13;1-18(11-16(23)21(2)17(19)20-18)15-9-6-10-22(13-15)12-14-7-4-3-5-8-14/h6-15,21H,1-5H3,(H2,28,31);3-4,6,8-10,12-14,16,22H,5,7,11H2,1-2H3,(H2,29,30);3-10,24-25H,11H2,1-2H3,(H2,20,21)(H,22,23);3,5,7,9,14H,4,6,8,10-12H2,1-2H3,(H2,20,21);3-5,7-8,15H,6,9-13H2,1-2H3,(H2,19,20)/t21-,26+;22?,26-;19-;14?,18-;15?,18-/m00000/s1
InChIKeyGJNKAKAZNJWSNB-YYRYSHJMSA-N
XLogP14.77
TPSA397.95 Ų
H-Bond Donors8
H-Bond Acceptors25
Rotatable Bonds18
Heavy Atoms140
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001932.86
LogP ≤ 514.77
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

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

Analyze (6S)-2-amino-6-(1-benzylpiperidin-3-yl)-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;(6S)-2-amino-6-[3-[3-(2,3-dihydro-1H-tetrazol-5-yl)phenyl]phenyl]-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 with MolForge

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Launch Full Analysis

Related Compounds

2-amino-5-[3-(3-chlorophenyl)phenyl]-3-[[(3S)-1-(cyclohexylmethyl)pyrrolidin-3-yl]methyl]-5-methylimidazol-4-one;(6S)-2-amino-3,6-dimethyl-6-[1-(3-methylbutyl)piperidin-3-yl]-5H-pyrimidin-4-one;3-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-N-cyclohexylpiperidine-1-carboxamide;3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-3-ethylthiophen-2-yl]benzonitrile;5-[6-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]pyrazin-2-yl]thiophene-2-carbonitrile;3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5-[5-(trifluoromethyl)-2-pyridinyl]-5H-pyrimidin-4-yl]thiophen-2-yl]benzonitrile
CID 159965660
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
2-[4-[(4S,5R)-2-amino-4-[4-(5-chloro-3-pyridinyl)thiophen-2-yl]-1,4-dimethyl-6-oxo-5H-pyrimidin-5-yl]phenyl]-2-methylpropanenitrile;3-[5-[(4S,5R)-2-amino-1,4-dimethyl-6-oxo-5-(1-phenylpiperidin-4-yl)-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;3-[5-[(4S,5S)-2-amino-1,4-dimethyl-6-oxo-5-(1-phenylpiperidin-4-yl)-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;5-[5-[(4S,5S)-2-amino-1,4-dimethyl-6-oxo-5-(4-propan-2-ylphenyl)-5H-pyrimidin-4-yl]thiophen-3-yl]pyridine-3-carbonitrile
CID 157308091
5-[(4S,5S)-2-amino-4-[4-(3-cyanophenyl)thiophen-2-yl]-1,4-dimethyl-6-oxo-5H-pyrimidin-5-yl]pyridine-2-carbonitrile;3-[3-[(4S,5R)-2-amino-5-ethyl-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]phenyl]benzonitrile;(5S,6S)-2-amino-6-[2-(2-fluoro-3-pyridinyl)-4-pyridinyl]-3,6-dimethyl-5-(4-phenylphenyl)-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-[2-(2-fluoro-3-pyridinyl)-4-pyridinyl]-3,6-dimethyl-5-(4-phenylphenyl)-5H-pyrimidin-4-one
CID 158054195
(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
2-[4-[(4S,5S)-2-amino-4-[4-(5-chloro-3-pyridinyl)thiophen-2-yl]-1,4-dimethyl-6-oxo-5H-pyrimidin-5-yl]phenyl]-2-methylpropanenitrile;(5R)-2-amino-3,5-dimethyl-5-[[(1S)-3-(quinolin-2-ylamino)cyclohexyl]methyl]imidazol-4-one;3-[5-[(4S,5R)-2-amino-5-[1-(3-fluorophenyl)piperidin-4-yl]-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;3-[5-[(4S,5S)-2-amino-5-[1-(3-fluorophenyl)piperidin-4-yl]-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile
CID 161635563

Frequently Asked Questions

What is the IUPAC name of (6S)-2-amino-6-(1-benzylpiperidin-3-yl)-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;(6S)-2-amino-6-[3-[3-(2,3-dihydro-1H-tetrazol-5-yl)phenyl]phenyl]-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?
The IUPAC name of (6S)-2-amino-6-(1-benzylpiperidin-3-yl)-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;(6S)-2-amino-6-[3-[3-(2,3-dihydro-1H-tetrazol-5-yl)phenyl]phenyl]-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 158275241) is (6S)-2-amino-6-(1-benzylpiperidin-3-yl)-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;(6S)-2-amino-6-[3-[3-(2,3-dihydro-1H-tetrazol-5-yl)phenyl]phenyl]-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.
What is the SMILES notation for (6S)-2-amino-6-(1-benzylpiperidin-3-yl)-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;(6S)-2-amino-6-[3-[3-(2,3-dihydro-1H-tetrazol-5-yl)phenyl]phenyl]-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?
The canonical SMILES for (6S)-2-amino-6-(1-benzylpiperidin-3-yl)-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;(6S)-2-amino-6-[3-[3-(2,3-dihydro-1H-tetrazol-5-yl)phenyl]phenyl]-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 is CN1C(=O)C(CCCc2cccc(F)c2)[C@@](C)(c2cc(-c3cccc(C#N)c3)cs2)N=C1N.CN1C(=O)C[C@@](C)(C2CCCN(Cc3cccc(Cl)c3)C2)N=C1N.CN1C(=O)C[C@@](C)(C2CCCN(Cc3ccccc3)C2)N=C1N.CN1C(=O)C[C@@](C)(c2cccc(-c3cccc(C4=NNNN4)c3)c2)N=C1N.CN1C(=O)[C@H](c2ccc(C(C)(C)C)cc2)[C@@](C)(c2ccnc(-c3cccnc3F)c2)N=C1N.
What is the InChIKey of (6S)-2-amino-6-(1-benzylpiperidin-3-yl)-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;(6S)-2-amino-6-[3-[3-(2,3-dihydro-1H-tetrazol-5-yl)phenyl]phenyl]-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?
The InChIKey is GJNKAKAZNJWSNB-YYRYSHJMSA-N. The full InChI is InChI=1S/C26H28FN5O.C26H25FN4OS.C19H21N7O.C18H25ClN4O.C18H26N4O/c1-25(2,3)17-10-8-16(9-11-17)21-23(33)32(5)24(28)31-26(21,4)18-12-14-29-20(15-18)19-7-6-13-30-22(19)27;1-26(23-14-20(16-33-23)19-9-3-8-18(12-19)15-28)22(24(32)31(2)25(29)30-26)11-5-7-17-6-4-10-21(27)13-17;1-19(11-16(27)26(2)18(20)21-19)15-8-4-6-13(10-15)12-5-3-7-14(9-12)17-22-24-25-23-17;1-18(10-16(24)22(2)17(20)21-18)14-6-4-8-23(12-14)11-13-5-3-7-15(19)9-13;1-18(11-16(23)21(2)17(19)20-18)15-9-6-10-22(13-15)12-14-7-4-3-5-8-14/h6-15,21H,1-5H3,(H2,28,31);3-4,6,8-10,12-14,16,22H,5,7,11H2,1-2H3,(H2,29,30);3-10,24-25H,11H2,1-2H3,(H2,20,21)(H,22,23);3,5,7,9,14H,4,6,8,10-12H2,1-2H3,(H2,20,21);3-5,7-8,15H,6,9-13H2,1-2H3,(H2,19,20)/t21-,26+;22?,26-;19-;14?,18-;15?,18-/m00000/s1.
What are the key properties of (6S)-2-amino-6-(1-benzylpiperidin-3-yl)-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;(6S)-2-amino-6-[3-[3-(2,3-dihydro-1H-tetrazol-5-yl)phenyl]phenyl]-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?
(6S)-2-amino-6-(1-benzylpiperidin-3-yl)-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;(6S)-2-amino-6-[3-[3-(2,3-dihydro-1H-tetrazol-5-yl)phenyl]phenyl]-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 has a molecular weight of 1932.86 g/mol, XLogP of 14.77, 18 rotatable bonds, 8 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-2-amino-6-(1-benzylpiperidin-3-yl)-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;(6S)-2-amino-6-[3-[3-(2,3-dihydro-1H-tetrazol-5-yl)phenyl]phenyl]-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 is sourced from PubChem (CID 158275241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).