5-[5-[(4S)-2-amino-5-[4-(1-cyanocyclopropyl)phenyl]-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]pyridine-3-carbonitrile;3-[6-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-2-pyridinyl]-4-fluorobenzonitrile;2-amino-3-[(3-fluorophenyl)methyl]-5,5-diphenylimidazol-4-one;3-[5-(2-amino-5-methoxy-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)thiophen-3-yl]-5-chlorobenzonitrile;3-[5-[(4S)-2-amino-5-methoxy-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]-5-chlorobenzonitrile;1-[2-[3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)phenyl]ethyl]-1-ethyl-3,3-dimethylurea

C125H119Cl2F2N27O9S3 — CID 159609295

IUPAC5-[5-[(4S)-2-amino-5-[4-(1-cyanocyclopropyl)phenyl]-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]pyridine-3-carbonitrile;3-[6-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-2-pyridinyl]-4-fluorobenzonitrile;2-amino-3-[(3-fluorophenyl)methyl]-5,5-diphenylimidazol-4-one;3-[5-(2-amino-5-methoxy-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)thiophen-3-yl]-5-chlorobenzonitrile;3-[5-[(4S)-2-amino-5-methoxy-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]-5-chlorobenzonitrile;1-[2-[3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)phenyl]ethyl]-1-ethyl-3,3-dimethylurea
SMILESCCN(CCc1cccc(C2(c3ccccc3)N=C(N)N(C)C2=O)c1)C(=O)N(C)C.CN1C(=O)C(c2ccc(C3(C#N)CC3)cc2)[C@@](C)(c2cc(-c3cncc(C#N)c3)cs2)N=C1N.CN1C(=O)C[C@@](C)(c2cccc(-c3cc(C#N)ccc3F)n2)N=C1N.COC1C(=O)N(C)C(N)=NC1(C)c1cc(-c2cc(Cl)cc(C#N)c2)cs1.COC1C(=O)N(C)C(N)=N[C@]1(C)c1cc(-c2cc(Cl)cc(C#N)c2)cs1.NC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1Cc1cccc(F)c1
InChIInChI=1S/C26H22N6OS.C23H29N5O2.C22H18FN3O.2C18H17ClN4O2S.C18H16FN5O/c1-25(21-10-19(14-34-21)18-9-16(11-27)12-30-13-18)22(23(33)32(2)24(29)31-25)17-3-5-20(6-4-17)26(15-28)7-8-26;1-5-28(22(30)26(2)3)15-14-17-10-9-13-19(16-17)23(18-11-7-6-8-12-18)20(29)27(4)21(24)25-23;23-19-13-7-8-16(14-19)15-26-20(27)22(25-21(26)24,17-9-3-1-4-10-17)18-11-5-2-6-12-18;2*1-18(15(25-3)16(24)23(2)17(21)22-18)14-7-12(9-26-14)11-4-10(8-20)5-13(19)6-11;1-18(9-16(25)24(2)17(21)23-18)15-5-3-4-14(22-15)12-8-11(10-20)6-7-13(12)19/h3-6,9-10,12-14,22H,7-8H2,1-2H3,(H2,29,31);6-13,16H,5,14-15H2,1-4H3,(H2,24,25);1-14H,15H2,(H2,24,25);2*4-7,9,15H,1-3H3,(H2,21,22);3-8H,9H2,1-2H3,(H2,21,23)/t22?,25-;;;15?,18-;;18-/m1..1.0/s1
InChIKeyMMLZPRVGCQHQSS-KSDSIJQRSA-N
MW2348.61 g/mol
LogP17.78
Rot. Bonds22

About 5-[5-[(4S)-2-amino-5-[4-(1-cyanocyclopropyl)phenyl]-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]pyridine-3-carbonitrile;3-[6-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-2-pyridinyl]-4-fluorobenzonitrile;2-amino-3-[(3-fluorophenyl)methyl]-5,5-diphenylimidazol-4-one;3-[5-(2-amino-5-methoxy-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)thiophen-3-yl]-5-chlorobenzonitrile;3-[5-[(4S)-2-amino-5-methoxy-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]-5-chlorobenzonitrile;1-[2-[3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)phenyl]ethyl]-1-ethyl-3,3-dimethylurea

5-[5-[(4S)-2-amino-5-[4-(1-cyanocyclopropyl)phenyl]-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]pyridine-3-carbonitrile;3-[6-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-2-pyridinyl]-4-fluorobenzonitrile;2-amino-3-[(3-fluorophenyl)methyl]-5,5-diphenylimidazol-4-one;3-[5-(2-amino-5-methoxy-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)thiophen-3-yl]-5-chlorobenzonitrile;3-[5-[(4S)-2-amino-5-methoxy-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]-5-chlorobenzonitrile;1-[2-[3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)phenyl]ethyl]-1-ethyl-3,3-dimethylurea (PubChem CID 159609295) has the molecular formula C125H119Cl2F2N27O9S3 and a molecular weight of 2348.61 g/mol. Its IUPAC name is 5-[5-[(4S)-2-amino-5-[4-(1-cyanocyclopropyl)phenyl]-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]pyridine-3-carbonitrile;3-[6-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-2-pyridinyl]-4-fluorobenzonitrile;2-amino-3-[(3-fluorophenyl)methyl]-5,5-diphenylimidazol-4-one;3-[5-(2-amino-5-methoxy-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)thiophen-3-yl]-5-chlorobenzonitrile;3-[5-[(4S)-2-amino-5-methoxy-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]-5-chlorobenzonitrile;1-[2-[3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)phenyl]ethyl]-1-ethyl-3,3-dimethylurea.

Molecular Properties

Compound Name5-[5-[(4S)-2-amino-5-[4-(1-cyanocyclopropyl)phenyl]-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]pyridine-3-carbonitrile;3-[6-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-2-pyridinyl]-4-fluorobenzonitrile;2-amino-3-[(3-fluorophenyl)methyl]-5,5-diphenylimidazol-4-one;3-[5-(2-amino-5-methoxy-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)thiophen-3-yl]-5-chlorobenzonitrile;3-[5-[(4S)-2-amino-5-methoxy-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]-5-chlorobenzonitrile;1-[2-[3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)phenyl]ethyl]-1-ethyl-3,3-dimethylurea
PubChem CID159609295
Molecular FormulaC125H119Cl2F2N27O9S3
Molecular Weight2348.61 g/mol
Exact Mass2345.82
IUPAC Name5-[5-[(4S)-2-amino-5-[4-(1-cyanocyclopropyl)phenyl]-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]pyridine-3-carbonitrile;3-[6-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-2-pyridinyl]-4-fluorobenzonitrile;2-amino-3-[(3-fluorophenyl)methyl]-5,5-diphenylimidazol-4-one;3-[5-(2-amino-5-methoxy-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)thiophen-3-yl]-5-chlorobenzonitrile;3-[5-[(4S)-2-amino-5-methoxy-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]-5-chlorobenzonitrile;1-[2-[3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)phenyl]ethyl]-1-ethyl-3,3-dimethylurea
SMILESCCN(CCc1cccc(C2(c3ccccc3)N=C(N)N(C)C2=O)c1)C(=O)N(C)C.CN1C(=O)C(c2ccc(C3(C#N)CC3)cc2)[C@@](C)(c2cc(-c3cncc(C#N)c3)cs2)N=C1N.CN1C(=O)C[C@@](C)(c2cccc(-c3cc(C#N)ccc3F)n2)N=C1N.COC1C(=O)N(C)C(N)=NC1(C)c1cc(-c2cc(Cl)cc(C#N)c2)cs1.COC1C(=O)N(C)C(N)=N[C@]1(C)c1cc(-c2cc(Cl)cc(C#N)c2)cs1.NC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1Cc1cccc(F)c1
InChIInChI=1S/C26H22N6OS.C23H29N5O2.C22H18FN3O.2C18H17ClN4O2S.C18H16FN5O/c1-25(21-10-19(14-34-21)18-9-16(11-27)12-30-13-18)22(23(33)32(2)24(29)31-25)17-3-5-20(6-4-17)26(15-28)7-8-26;1-5-28(22(30)26(2)3)15-14-17-10-9-13-19(16-17)23(18-11-7-6-8-12-18)20(29)27(4)21(24)25-23;23-19-13-7-8-16(14-19)15-26-20(27)22(25-21(26)24,17-9-3-1-4-10-17)18-11-5-2-6-12-18;2*1-18(15(25-3)16(24)23(2)17(21)22-18)14-7-12(9-26-14)11-4-10(8-20)5-13(19)6-11;1-18(9-16(25)24(2)17(21)23-18)15-5-3-4-14(22-15)12-8-11(10-20)6-7-13(12)19/h3-6,9-10,12-14,22H,7-8H2,1-2H3,(H2,29,31);6-13,16H,5,14-15H2,1-4H3,(H2,24,25);1-14H,15H2,(H2,24,25);2*4-7,9,15H,1-3H3,(H2,21,22);3-8H,9H2,1-2H3,(H2,21,23)/t22?,25-;;;15?,18-;;18-/m1..1.0/s1
InChIKeyMMLZPRVGCQHQSS-KSDSIJQRSA-N
XLogP17.78
TPSA538.88 Ų
H-Bond Donors6
H-Bond Acceptors31
Rotatable Bonds22
Heavy Atoms168
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002348.61
LogP ≤ 517.78
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1031

Analyze 5-[5-[(4S)-2-amino-5-[4-(1-cyanocyclopropyl)phenyl]-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]pyridine-3-carbonitrile;3-[6-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-2-pyridinyl]-4-fluorobenzonitrile;2-amino-3-[(3-fluorophenyl)methyl]-5,5-diphenylimidazol-4-one;3-[5-(2-amino-5-methoxy-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)thiophen-3-yl]-5-chlorobenzonitrile;3-[5-[(4S)-2-amino-5-methoxy-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]-5-chlorobenzonitrile;1-[2-[3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)phenyl]ethyl]-1-ethyl-3,3-dimethylurea with MolForge

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Related Compounds

(6S)-2-amino-6-(5-bromo-3-chlorothiophen-2-yl)-5-[4-(1,1-difluoroethyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one;3-[5-[(4S,5R)-2-amino-5-[4-(2-cyanopropan-2-yl)phenyl]-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-2-yl]benzonitrile;5-[5-[(4S)-2-amino-1,4-dimethyl-5-methylsulfanyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]pyridine-3-carbonitrile;3-[5-(2-amino-5-methoxy-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)thiophen-3-yl]-5-chlorobenzonitrile;3-[5-[(4S)-2-amino-5-methoxy-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]-5-chlorobenzonitrile
CID 160251405
2-amino-3-[[(3S)-1-butanoylpiperidin-3-yl]methyl]-5,5-diphenylimidazol-4-one;3-[5-[(4S,5R)-2-amino-5-[4-(1-cyanocyclopropyl)phenyl]-1-ethyl-4-methyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;5-[5-[(4S,5S)-2-amino-5-[4-(1,1-difluoroethyl)phenyl]-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]pyridine-3-carbonitrile;5-[5-[(4S,5R)-2-amino-5-[4-(1,1-difluoroethyl)phenyl]-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]pyridine-3-carbonitrile;3-[3-(3-chlorophenyl)phenyl]-3-cyclopropyl-1-(1,3-dihydroxypropan-2-yl)-5-iminopyrrolidin-2-one
CID 161423439
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
N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-2,6-dichloropyridine-4-carboxamide;5-[2-[(4S)-2-amino-1,4-dimethyl-6-oxo-5-(4-propan-2-ylphenyl)-5H-pyrimidin-4-yl]-1,3-thiazol-5-yl]pyridine-3-carbonitrile;3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-4-methylthiophen-3-yl]-5-chlorobenzonitrile;(6S)-2-amino-3,6-dimethyl-6-(4-phenylthiophen-2-yl)-5H-pyrimidin-4-one;5-[5-[(4S)-2-amino-5-methoxy-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzene-1,3-dicarbonitrile
CID 160434084

Frequently Asked Questions

What is the IUPAC name of 5-[5-[(4S)-2-amino-5-[4-(1-cyanocyclopropyl)phenyl]-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]pyridine-3-carbonitrile;3-[6-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-2-pyridinyl]-4-fluorobenzonitrile;2-amino-3-[(3-fluorophenyl)methyl]-5,5-diphenylimidazol-4-one;3-[5-(2-amino-5-methoxy-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)thiophen-3-yl]-5-chlorobenzonitrile;3-[5-[(4S)-2-amino-5-methoxy-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]-5-chlorobenzonitrile;1-[2-[3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)phenyl]ethyl]-1-ethyl-3,3-dimethylurea?
The IUPAC name of 5-[5-[(4S)-2-amino-5-[4-(1-cyanocyclopropyl)phenyl]-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]pyridine-3-carbonitrile;3-[6-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-2-pyridinyl]-4-fluorobenzonitrile;2-amino-3-[(3-fluorophenyl)methyl]-5,5-diphenylimidazol-4-one;3-[5-(2-amino-5-methoxy-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)thiophen-3-yl]-5-chlorobenzonitrile;3-[5-[(4S)-2-amino-5-methoxy-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]-5-chlorobenzonitrile;1-[2-[3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)phenyl]ethyl]-1-ethyl-3,3-dimethylurea (CID 159609295) is 5-[5-[(4S)-2-amino-5-[4-(1-cyanocyclopropyl)phenyl]-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]pyridine-3-carbonitrile;3-[6-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-2-pyridinyl]-4-fluorobenzonitrile;2-amino-3-[(3-fluorophenyl)methyl]-5,5-diphenylimidazol-4-one;3-[5-(2-amino-5-methoxy-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)thiophen-3-yl]-5-chlorobenzonitrile;3-[5-[(4S)-2-amino-5-methoxy-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]-5-chlorobenzonitrile;1-[2-[3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)phenyl]ethyl]-1-ethyl-3,3-dimethylurea.
What is the SMILES notation for 5-[5-[(4S)-2-amino-5-[4-(1-cyanocyclopropyl)phenyl]-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]pyridine-3-carbonitrile;3-[6-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-2-pyridinyl]-4-fluorobenzonitrile;2-amino-3-[(3-fluorophenyl)methyl]-5,5-diphenylimidazol-4-one;3-[5-(2-amino-5-methoxy-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)thiophen-3-yl]-5-chlorobenzonitrile;3-[5-[(4S)-2-amino-5-methoxy-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]-5-chlorobenzonitrile;1-[2-[3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)phenyl]ethyl]-1-ethyl-3,3-dimethylurea?
The canonical SMILES for 5-[5-[(4S)-2-amino-5-[4-(1-cyanocyclopropyl)phenyl]-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]pyridine-3-carbonitrile;3-[6-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-2-pyridinyl]-4-fluorobenzonitrile;2-amino-3-[(3-fluorophenyl)methyl]-5,5-diphenylimidazol-4-one;3-[5-(2-amino-5-methoxy-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)thiophen-3-yl]-5-chlorobenzonitrile;3-[5-[(4S)-2-amino-5-methoxy-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]-5-chlorobenzonitrile;1-[2-[3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)phenyl]ethyl]-1-ethyl-3,3-dimethylurea is CCN(CCc1cccc(C2(c3ccccc3)N=C(N)N(C)C2=O)c1)C(=O)N(C)C.CN1C(=O)C(c2ccc(C3(C#N)CC3)cc2)[C@@](C)(c2cc(-c3cncc(C#N)c3)cs2)N=C1N.CN1C(=O)C[C@@](C)(c2cccc(-c3cc(C#N)ccc3F)n2)N=C1N.COC1C(=O)N(C)C(N)=NC1(C)c1cc(-c2cc(Cl)cc(C#N)c2)cs1.COC1C(=O)N(C)C(N)=N[C@]1(C)c1cc(-c2cc(Cl)cc(C#N)c2)cs1.NC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1Cc1cccc(F)c1.
What is the InChIKey of 5-[5-[(4S)-2-amino-5-[4-(1-cyanocyclopropyl)phenyl]-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]pyridine-3-carbonitrile;3-[6-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-2-pyridinyl]-4-fluorobenzonitrile;2-amino-3-[(3-fluorophenyl)methyl]-5,5-diphenylimidazol-4-one;3-[5-(2-amino-5-methoxy-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)thiophen-3-yl]-5-chlorobenzonitrile;3-[5-[(4S)-2-amino-5-methoxy-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]-5-chlorobenzonitrile;1-[2-[3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)phenyl]ethyl]-1-ethyl-3,3-dimethylurea?
The InChIKey is MMLZPRVGCQHQSS-KSDSIJQRSA-N. The full InChI is InChI=1S/C26H22N6OS.C23H29N5O2.C22H18FN3O.2C18H17ClN4O2S.C18H16FN5O/c1-25(21-10-19(14-34-21)18-9-16(11-27)12-30-13-18)22(23(33)32(2)24(29)31-25)17-3-5-20(6-4-17)26(15-28)7-8-26;1-5-28(22(30)26(2)3)15-14-17-10-9-13-19(16-17)23(18-11-7-6-8-12-18)20(29)27(4)21(24)25-23;23-19-13-7-8-16(14-19)15-26-20(27)22(25-21(26)24,17-9-3-1-4-10-17)18-11-5-2-6-12-18;2*1-18(15(25-3)16(24)23(2)17(21)22-18)14-7-12(9-26-14)11-4-10(8-20)5-13(19)6-11;1-18(9-16(25)24(2)17(21)23-18)15-5-3-4-14(22-15)12-8-11(10-20)6-7-13(12)19/h3-6,9-10,12-14,22H,7-8H2,1-2H3,(H2,29,31);6-13,16H,5,14-15H2,1-4H3,(H2,24,25);1-14H,15H2,(H2,24,25);2*4-7,9,15H,1-3H3,(H2,21,22);3-8H,9H2,1-2H3,(H2,21,23)/t22?,25-;;;15?,18-;;18-/m1..1.0/s1.
What are the key properties of 5-[5-[(4S)-2-amino-5-[4-(1-cyanocyclopropyl)phenyl]-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]pyridine-3-carbonitrile;3-[6-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-2-pyridinyl]-4-fluorobenzonitrile;2-amino-3-[(3-fluorophenyl)methyl]-5,5-diphenylimidazol-4-one;3-[5-(2-amino-5-methoxy-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)thiophen-3-yl]-5-chlorobenzonitrile;3-[5-[(4S)-2-amino-5-methoxy-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]-5-chlorobenzonitrile;1-[2-[3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)phenyl]ethyl]-1-ethyl-3,3-dimethylurea?
5-[5-[(4S)-2-amino-5-[4-(1-cyanocyclopropyl)phenyl]-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]pyridine-3-carbonitrile;3-[6-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-2-pyridinyl]-4-fluorobenzonitrile;2-amino-3-[(3-fluorophenyl)methyl]-5,5-diphenylimidazol-4-one;3-[5-(2-amino-5-methoxy-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)thiophen-3-yl]-5-chlorobenzonitrile;3-[5-[(4S)-2-amino-5-methoxy-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]-5-chlorobenzonitrile;1-[2-[3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)phenyl]ethyl]-1-ethyl-3,3-dimethylurea has a molecular weight of 2348.61 g/mol, XLogP of 17.78, 22 rotatable bonds, 6 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[(4S)-2-amino-5-[4-(1-cyanocyclopropyl)phenyl]-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]pyridine-3-carbonitrile;3-[6-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-2-pyridinyl]-4-fluorobenzonitrile;2-amino-3-[(3-fluorophenyl)methyl]-5,5-diphenylimidazol-4-one;3-[5-(2-amino-5-methoxy-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)thiophen-3-yl]-5-chlorobenzonitrile;3-[5-[(4S)-2-amino-5-methoxy-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]-5-chlorobenzonitrile;1-[2-[3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)phenyl]ethyl]-1-ethyl-3,3-dimethylurea is sourced from PubChem (CID 159609295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).