(5R)-2-amino-5-[[(1S,3R)-3-(cyclohexylamino)cyclohexyl]methyl]-5-(2-cyclohexylethyl)-3-methylimidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-5-[[(1S,3R)-3-(cyclopropylmethylamino)cyclohexyl]methyl]-3-methylimidazol-4-one;(6S)-2-amino-3,6-dimethyl-6-(3-pyridin-3-ylphenyl)-5H-pyrimidin-4-one;2-amino-5-[3-(3-fluorophenyl)phenyl]-3-methyl-5-phenylimidazol-4-one;(6S)-2-amino-6-[3-(3-methoxyphenyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one

C106H141FN18O6 — CID 158253511

IUPAC(5R)-2-amino-5-[[(1S,3R)-3-(cyclohexylamino)cyclohexyl]methyl]-5-(2-cyclohexylethyl)-3-methylimidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-5-[[(1S,3R)-3-(cyclopropylmethylamino)cyclohexyl]methyl]-3-methylimidazol-4-one;(6S)-2-amino-3,6-dimethyl-6-(3-pyridin-3-ylphenyl)-5H-pyrimidin-4-one;2-amino-5-[3-(3-fluorophenyl)phenyl]-3-methyl-5-phenylimidazol-4-one;(6S)-2-amino-6-[3-(3-methoxyphenyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one
SMILESCN1C(=O)C(c2ccccc2)(c2cccc(-c3cccc(F)c3)c2)N=C1N.CN1C(=O)C[C@@](C)(c2cccc(-c3cccnc3)c2)N=C1N.CN1C(=O)[C@@](CCC2CCCCC2)(C[C@H]2CCC[C@@H](NC3CCCCC3)C2)N=C1N.CN1C(=O)[C@@](CCC2CCCCC2)(C[C@H]2CCC[C@@H](NCC3CC3)C2)N=C1N.COc1cccc(-c2cccc([C@]3(C)CC(=O)N(C)C(N)=N3)c2)c1
InChIInChI=1S/C25H44N4O.C23H40N4O.C22H18FN3O.C19H21N3O2.C17H18N4O/c1-29-23(30)25(28-24(29)26,16-15-19-9-4-2-5-10-19)18-20-11-8-14-22(17-20)27-21-12-6-3-7-13-21;1-27-21(28)23(26-22(27)24,13-12-17-6-3-2-4-7-17)15-19-8-5-9-20(14-19)25-16-18-10-11-18;1-26-20(27)22(25-21(26)24,17-9-3-2-4-10-17)18-11-5-7-15(13-18)16-8-6-12-19(23)14-16;1-19(12-17(23)22(2)18(20)21-19)15-8-4-6-13(10-15)14-7-5-9-16(11-14)24-3;1-17(10-15(22)21(2)16(18)20-17)14-7-3-5-12(9-14)13-6-4-8-19-11-13/h19-22,27H,2-18H2,1H3,(H2,26,28);17-20,25H,2-16H2,1H3,(H2,24,26);2-14H,1H3,(H2,24,25);4-11H,12H2,1-3H3,(H2,20,21);3-9,11H,10H2,1-2H3,(H2,18,20)/t20-,22+,25+;19-,20+,23+;;19-;17-/m00.00/s1
InChIKeyGGZPOCGICJVYCN-OGEYJPNCSA-N
MW1782.41 g/mol
LogP16.98
Rot. Bonds23

About (5R)-2-amino-5-[[(1S,3R)-3-(cyclohexylamino)cyclohexyl]methyl]-5-(2-cyclohexylethyl)-3-methylimidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-5-[[(1S,3R)-3-(cyclopropylmethylamino)cyclohexyl]methyl]-3-methylimidazol-4-one;(6S)-2-amino-3,6-dimethyl-6-(3-pyridin-3-ylphenyl)-5H-pyrimidin-4-one;2-amino-5-[3-(3-fluorophenyl)phenyl]-3-methyl-5-phenylimidazol-4-one;(6S)-2-amino-6-[3-(3-methoxyphenyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one

(5R)-2-amino-5-[[(1S,3R)-3-(cyclohexylamino)cyclohexyl]methyl]-5-(2-cyclohexylethyl)-3-methylimidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-5-[[(1S,3R)-3-(cyclopropylmethylamino)cyclohexyl]methyl]-3-methylimidazol-4-one;(6S)-2-amino-3,6-dimethyl-6-(3-pyridin-3-ylphenyl)-5H-pyrimidin-4-one;2-amino-5-[3-(3-fluorophenyl)phenyl]-3-methyl-5-phenylimidazol-4-one;(6S)-2-amino-6-[3-(3-methoxyphenyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one (PubChem CID 158253511) has the molecular formula C106H141FN18O6 and a molecular weight of 1782.41 g/mol. Its IUPAC name is (5R)-2-amino-5-[[(1S,3R)-3-(cyclohexylamino)cyclohexyl]methyl]-5-(2-cyclohexylethyl)-3-methylimidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-5-[[(1S,3R)-3-(cyclopropylmethylamino)cyclohexyl]methyl]-3-methylimidazol-4-one;(6S)-2-amino-3,6-dimethyl-6-(3-pyridin-3-ylphenyl)-5H-pyrimidin-4-one;2-amino-5-[3-(3-fluorophenyl)phenyl]-3-methyl-5-phenylimidazol-4-one;(6S)-2-amino-6-[3-(3-methoxyphenyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one.

Molecular Properties

Compound Name(5R)-2-amino-5-[[(1S,3R)-3-(cyclohexylamino)cyclohexyl]methyl]-5-(2-cyclohexylethyl)-3-methylimidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-5-[[(1S,3R)-3-(cyclopropylmethylamino)cyclohexyl]methyl]-3-methylimidazol-4-one;(6S)-2-amino-3,6-dimethyl-6-(3-pyridin-3-ylphenyl)-5H-pyrimidin-4-one;2-amino-5-[3-(3-fluorophenyl)phenyl]-3-methyl-5-phenylimidazol-4-one;(6S)-2-amino-6-[3-(3-methoxyphenyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one
PubChem CID158253511
Molecular FormulaC106H141FN18O6
Molecular Weight1782.41 g/mol
Exact Mass1781.13
IUPAC Name(5R)-2-amino-5-[[(1S,3R)-3-(cyclohexylamino)cyclohexyl]methyl]-5-(2-cyclohexylethyl)-3-methylimidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-5-[[(1S,3R)-3-(cyclopropylmethylamino)cyclohexyl]methyl]-3-methylimidazol-4-one;(6S)-2-amino-3,6-dimethyl-6-(3-pyridin-3-ylphenyl)-5H-pyrimidin-4-one;2-amino-5-[3-(3-fluorophenyl)phenyl]-3-methyl-5-phenylimidazol-4-one;(6S)-2-amino-6-[3-(3-methoxyphenyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one
SMILESCN1C(=O)C(c2ccccc2)(c2cccc(-c3cccc(F)c3)c2)N=C1N.CN1C(=O)C[C@@](C)(c2cccc(-c3cccnc3)c2)N=C1N.CN1C(=O)[C@@](CCC2CCCCC2)(C[C@H]2CCC[C@@H](NC3CCCCC3)C2)N=C1N.CN1C(=O)[C@@](CCC2CCCCC2)(C[C@H]2CCC[C@@H](NCC3CC3)C2)N=C1N.COc1cccc(-c2cccc([C@]3(C)CC(=O)N(C)C(N)=N3)c2)c1
InChIInChI=1S/C25H44N4O.C23H40N4O.C22H18FN3O.C19H21N3O2.C17H18N4O/c1-29-23(30)25(28-24(29)26,16-15-19-9-4-2-5-10-19)18-20-11-8-14-22(17-20)27-21-12-6-3-7-13-21;1-27-21(28)23(26-22(27)24,13-12-17-6-3-2-4-7-17)15-19-8-5-9-20(14-19)25-16-18-10-11-18;1-26-20(27)22(25-21(26)24,17-9-3-2-4-10-17)18-11-5-7-15(13-18)16-8-6-12-19(23)14-16;1-19(12-17(23)22(2)18(20)21-19)15-8-4-6-13(10-15)14-7-5-9-16(11-14)24-3;1-17(10-15(22)21(2)16(18)20-17)14-7-3-5-12(9-14)13-6-4-8-19-11-13/h19-22,27H,2-18H2,1H3,(H2,26,28);17-20,25H,2-16H2,1H3,(H2,24,26);2-14H,1H3,(H2,24,25);4-11H,12H2,1-3H3,(H2,20,21);3-9,11H,10H2,1-2H3,(H2,18,20)/t20-,22+,25+;19-,20+,23+;;19-;17-/m00.00/s1
InChIKeyGGZPOCGICJVYCN-OGEYJPNCSA-N
XLogP16.98
TPSA339.63 Ų
H-Bond Donors7
H-Bond Acceptors19
Rotatable Bonds23
Heavy Atoms131
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001782.41
LogP ≤ 516.98
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1019

Analyze (5R)-2-amino-5-[[(1S,3R)-3-(cyclohexylamino)cyclohexyl]methyl]-5-(2-cyclohexylethyl)-3-methylimidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-5-[[(1S,3R)-3-(cyclopropylmethylamino)cyclohexyl]methyl]-3-methylimidazol-4-one;(6S)-2-amino-3,6-dimethyl-6-(3-pyridin-3-ylphenyl)-5H-pyrimidin-4-one;2-amino-5-[3-(3-fluorophenyl)phenyl]-3-methyl-5-phenylimidazol-4-one;(6S)-2-amino-6-[3-(3-methoxyphenyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5R)-2-amino-5-[[(1S,3R)-3-(cyclohexylamino)cyclohexyl]methyl]-5-(2-cyclohexylethyl)-3-methylimidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-5-[[(1S,3R)-3-(cyclopropylmethylamino)cyclohexyl]methyl]-3-methylimidazol-4-one;(6S)-2-amino-3,6-dimethyl-6-(3-pyridin-3-ylphenyl)-5H-pyrimidin-4-one;2-amino-5-[3-(3-fluorophenyl)phenyl]-3-methyl-5-phenylimidazol-4-one;(6S)-2-amino-6-[3-(3-methoxyphenyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one?
The IUPAC name of (5R)-2-amino-5-[[(1S,3R)-3-(cyclohexylamino)cyclohexyl]methyl]-5-(2-cyclohexylethyl)-3-methylimidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-5-[[(1S,3R)-3-(cyclopropylmethylamino)cyclohexyl]methyl]-3-methylimidazol-4-one;(6S)-2-amino-3,6-dimethyl-6-(3-pyridin-3-ylphenyl)-5H-pyrimidin-4-one;2-amino-5-[3-(3-fluorophenyl)phenyl]-3-methyl-5-phenylimidazol-4-one;(6S)-2-amino-6-[3-(3-methoxyphenyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one (CID 158253511) is (5R)-2-amino-5-[[(1S,3R)-3-(cyclohexylamino)cyclohexyl]methyl]-5-(2-cyclohexylethyl)-3-methylimidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-5-[[(1S,3R)-3-(cyclopropylmethylamino)cyclohexyl]methyl]-3-methylimidazol-4-one;(6S)-2-amino-3,6-dimethyl-6-(3-pyridin-3-ylphenyl)-5H-pyrimidin-4-one;2-amino-5-[3-(3-fluorophenyl)phenyl]-3-methyl-5-phenylimidazol-4-one;(6S)-2-amino-6-[3-(3-methoxyphenyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one.
What is the SMILES notation for (5R)-2-amino-5-[[(1S,3R)-3-(cyclohexylamino)cyclohexyl]methyl]-5-(2-cyclohexylethyl)-3-methylimidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-5-[[(1S,3R)-3-(cyclopropylmethylamino)cyclohexyl]methyl]-3-methylimidazol-4-one;(6S)-2-amino-3,6-dimethyl-6-(3-pyridin-3-ylphenyl)-5H-pyrimidin-4-one;2-amino-5-[3-(3-fluorophenyl)phenyl]-3-methyl-5-phenylimidazol-4-one;(6S)-2-amino-6-[3-(3-methoxyphenyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one?
The canonical SMILES for (5R)-2-amino-5-[[(1S,3R)-3-(cyclohexylamino)cyclohexyl]methyl]-5-(2-cyclohexylethyl)-3-methylimidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-5-[[(1S,3R)-3-(cyclopropylmethylamino)cyclohexyl]methyl]-3-methylimidazol-4-one;(6S)-2-amino-3,6-dimethyl-6-(3-pyridin-3-ylphenyl)-5H-pyrimidin-4-one;2-amino-5-[3-(3-fluorophenyl)phenyl]-3-methyl-5-phenylimidazol-4-one;(6S)-2-amino-6-[3-(3-methoxyphenyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one is CN1C(=O)C(c2ccccc2)(c2cccc(-c3cccc(F)c3)c2)N=C1N.CN1C(=O)C[C@@](C)(c2cccc(-c3cccnc3)c2)N=C1N.CN1C(=O)[C@@](CCC2CCCCC2)(C[C@H]2CCC[C@@H](NC3CCCCC3)C2)N=C1N.CN1C(=O)[C@@](CCC2CCCCC2)(C[C@H]2CCC[C@@H](NCC3CC3)C2)N=C1N.COc1cccc(-c2cccc([C@]3(C)CC(=O)N(C)C(N)=N3)c2)c1.
What is the InChIKey of (5R)-2-amino-5-[[(1S,3R)-3-(cyclohexylamino)cyclohexyl]methyl]-5-(2-cyclohexylethyl)-3-methylimidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-5-[[(1S,3R)-3-(cyclopropylmethylamino)cyclohexyl]methyl]-3-methylimidazol-4-one;(6S)-2-amino-3,6-dimethyl-6-(3-pyridin-3-ylphenyl)-5H-pyrimidin-4-one;2-amino-5-[3-(3-fluorophenyl)phenyl]-3-methyl-5-phenylimidazol-4-one;(6S)-2-amino-6-[3-(3-methoxyphenyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one?
The InChIKey is GGZPOCGICJVYCN-OGEYJPNCSA-N. The full InChI is InChI=1S/C25H44N4O.C23H40N4O.C22H18FN3O.C19H21N3O2.C17H18N4O/c1-29-23(30)25(28-24(29)26,16-15-19-9-4-2-5-10-19)18-20-11-8-14-22(17-20)27-21-12-6-3-7-13-21;1-27-21(28)23(26-22(27)24,13-12-17-6-3-2-4-7-17)15-19-8-5-9-20(14-19)25-16-18-10-11-18;1-26-20(27)22(25-21(26)24,17-9-3-2-4-10-17)18-11-5-7-15(13-18)16-8-6-12-19(23)14-16;1-19(12-17(23)22(2)18(20)21-19)15-8-4-6-13(10-15)14-7-5-9-16(11-14)24-3;1-17(10-15(22)21(2)16(18)20-17)14-7-3-5-12(9-14)13-6-4-8-19-11-13/h19-22,27H,2-18H2,1H3,(H2,26,28);17-20,25H,2-16H2,1H3,(H2,24,26);2-14H,1H3,(H2,24,25);4-11H,12H2,1-3H3,(H2,20,21);3-9,11H,10H2,1-2H3,(H2,18,20)/t20-,22+,25+;19-,20+,23+;;19-;17-/m00.00/s1.
What are the key properties of (5R)-2-amino-5-[[(1S,3R)-3-(cyclohexylamino)cyclohexyl]methyl]-5-(2-cyclohexylethyl)-3-methylimidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-5-[[(1S,3R)-3-(cyclopropylmethylamino)cyclohexyl]methyl]-3-methylimidazol-4-one;(6S)-2-amino-3,6-dimethyl-6-(3-pyridin-3-ylphenyl)-5H-pyrimidin-4-one;2-amino-5-[3-(3-fluorophenyl)phenyl]-3-methyl-5-phenylimidazol-4-one;(6S)-2-amino-6-[3-(3-methoxyphenyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one?
(5R)-2-amino-5-[[(1S,3R)-3-(cyclohexylamino)cyclohexyl]methyl]-5-(2-cyclohexylethyl)-3-methylimidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-5-[[(1S,3R)-3-(cyclopropylmethylamino)cyclohexyl]methyl]-3-methylimidazol-4-one;(6S)-2-amino-3,6-dimethyl-6-(3-pyridin-3-ylphenyl)-5H-pyrimidin-4-one;2-amino-5-[3-(3-fluorophenyl)phenyl]-3-methyl-5-phenylimidazol-4-one;(6S)-2-amino-6-[3-(3-methoxyphenyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one has a molecular weight of 1782.41 g/mol, XLogP of 16.98, 23 rotatable bonds, 7 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2-amino-5-[[(1S,3R)-3-(cyclohexylamino)cyclohexyl]methyl]-5-(2-cyclohexylethyl)-3-methylimidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-5-[[(1S,3R)-3-(cyclopropylmethylamino)cyclohexyl]methyl]-3-methylimidazol-4-one;(6S)-2-amino-3,6-dimethyl-6-(3-pyridin-3-ylphenyl)-5H-pyrimidin-4-one;2-amino-5-[3-(3-fluorophenyl)phenyl]-3-methyl-5-phenylimidazol-4-one;(6S)-2-amino-6-[3-(3-methoxyphenyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one is sourced from PubChem (CID 158253511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).