(5R)-2-amino-5-(2-cyclohexylethyl)-5-[[(1S,3R)-3-[(4-methoxy-2-pyridinyl)amino]cyclohexyl]methyl]-3-methylimidazol-4-one;(6S)-2-amino-6-[4-(3-ethoxyphenyl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;2-amino-3-methyl-5-[3-(5-methyl-3-pyridinyl)phenyl]-5-phenylimidazol-4-one

C65H80N12O5S — CID 159806110

IUPAC(5R)-2-amino-5-(2-cyclohexylethyl)-5-[[(1S,3R)-3-[(4-methoxy-2-pyridinyl)amino]cyclohexyl]methyl]-3-methylimidazol-4-one;(6S)-2-amino-6-[4-(3-ethoxyphenyl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;2-amino-3-methyl-5-[3-(5-methyl-3-pyridinyl)phenyl]-5-phenylimidazol-4-one
SMILESCCOc1cccc(-c2csc([C@]3(C)CC(=O)N(C)C(N)=N3)c2)c1.COc1ccnc(N[C@@H]2CCC[C@H](C[C@@]3(CCC4CCCCC4)N=C(N)N(C)C3=O)C2)c1.Cc1cncc(-c2cccc(C3(c4ccccc4)N=C(N)N(C)C3=O)c2)c1
InChIInChI=1S/C25H39N5O2.C22H20N4O.C18H21N3O2S/c1-30-23(31)25(29-24(30)26,13-11-18-7-4-3-5-8-18)17-19-9-6-10-20(15-19)28-22-16-21(32-2)12-14-27-22;1-15-11-17(14-24-13-15)16-7-6-10-19(12-16)22(18-8-4-3-5-9-18)20(27)26(2)21(23)25-22;1-4-23-14-7-5-6-12(8-14)13-9-15(24-11-13)18(2)10-16(22)21(3)17(19)20-18/h12,14,16,18-20H,3-11,13,15,17H2,1-2H3,(H2,26,29)(H,27,28);3-14H,1-2H3,(H2,23,25);5-9,11H,4,10H2,1-3H3,(H2,19,20)/t19-,20+,25+;;18-/m0.0/s1
InChIKeyNKKKETXNLALXFW-QTFLBMFTSA-N
MW1141.50 g/mol
LogP10.63
Rot. Bonds15

About (5R)-2-amino-5-(2-cyclohexylethyl)-5-[[(1S,3R)-3-[(4-methoxy-2-pyridinyl)amino]cyclohexyl]methyl]-3-methylimidazol-4-one;(6S)-2-amino-6-[4-(3-ethoxyphenyl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;2-amino-3-methyl-5-[3-(5-methyl-3-pyridinyl)phenyl]-5-phenylimidazol-4-one

(5R)-2-amino-5-(2-cyclohexylethyl)-5-[[(1S,3R)-3-[(4-methoxy-2-pyridinyl)amino]cyclohexyl]methyl]-3-methylimidazol-4-one;(6S)-2-amino-6-[4-(3-ethoxyphenyl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;2-amino-3-methyl-5-[3-(5-methyl-3-pyridinyl)phenyl]-5-phenylimidazol-4-one (PubChem CID 159806110) has the molecular formula C65H80N12O5S and a molecular weight of 1141.50 g/mol. Its IUPAC name is (5R)-2-amino-5-(2-cyclohexylethyl)-5-[[(1S,3R)-3-[(4-methoxy-2-pyridinyl)amino]cyclohexyl]methyl]-3-methylimidazol-4-one;(6S)-2-amino-6-[4-(3-ethoxyphenyl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;2-amino-3-methyl-5-[3-(5-methyl-3-pyridinyl)phenyl]-5-phenylimidazol-4-one.

Molecular Properties

Compound Name(5R)-2-amino-5-(2-cyclohexylethyl)-5-[[(1S,3R)-3-[(4-methoxy-2-pyridinyl)amino]cyclohexyl]methyl]-3-methylimidazol-4-one;(6S)-2-amino-6-[4-(3-ethoxyphenyl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;2-amino-3-methyl-5-[3-(5-methyl-3-pyridinyl)phenyl]-5-phenylimidazol-4-one
PubChem CID159806110
Molecular FormulaC65H80N12O5S
Molecular Weight1141.50 g/mol
Exact Mass1140.61
IUPAC Name(5R)-2-amino-5-(2-cyclohexylethyl)-5-[[(1S,3R)-3-[(4-methoxy-2-pyridinyl)amino]cyclohexyl]methyl]-3-methylimidazol-4-one;(6S)-2-amino-6-[4-(3-ethoxyphenyl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;2-amino-3-methyl-5-[3-(5-methyl-3-pyridinyl)phenyl]-5-phenylimidazol-4-one
SMILESCCOc1cccc(-c2csc([C@]3(C)CC(=O)N(C)C(N)=N3)c2)c1.COc1ccnc(N[C@@H]2CCC[C@H](C[C@@]3(CCC4CCCCC4)N=C(N)N(C)C3=O)C2)c1.Cc1cncc(-c2cccc(C3(c4ccccc4)N=C(N)N(C)C3=O)c2)c1
InChIInChI=1S/C25H39N5O2.C22H20N4O.C18H21N3O2S/c1-30-23(31)25(29-24(30)26,13-11-18-7-4-3-5-8-18)17-19-9-6-10-20(15-19)28-22-16-21(32-2)12-14-27-22;1-15-11-17(14-24-13-15)16-7-6-10-19(12-16)22(18-8-4-3-5-9-18)20(27)26(2)21(23)25-22;1-4-23-14-7-5-6-12(8-14)13-9-15(24-11-13)18(2)10-16(22)21(3)17(19)20-18/h12,14,16,18-20H,3-11,13,15,17H2,1-2H3,(H2,26,29)(H,27,28);3-14H,1-2H3,(H2,23,25);5-9,11H,4,10H2,1-3H3,(H2,19,20)/t19-,20+,25+;;18-/m0.0/s1
InChIKeyNKKKETXNLALXFW-QTFLBMFTSA-N
XLogP10.63
TPSA232.34 Ų
H-Bond Donors4
H-Bond Acceptors15
Rotatable Bonds15
Heavy Atoms83
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001141.50
LogP ≤ 510.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1015

Analyze (5R)-2-amino-5-(2-cyclohexylethyl)-5-[[(1S,3R)-3-[(4-methoxy-2-pyridinyl)amino]cyclohexyl]methyl]-3-methylimidazol-4-one;(6S)-2-amino-6-[4-(3-ethoxyphenyl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;2-amino-3-methyl-5-[3-(5-methyl-3-pyridinyl)phenyl]-5-phenylimidazol-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5R)-2-amino-5-(2-cyclohexylethyl)-5-[[(1S,3R)-3-[(4-methoxy-2-pyridinyl)amino]cyclohexyl]methyl]-3-methylimidazol-4-one;(6S)-2-amino-6-[4-(3-ethoxyphenyl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;2-amino-3-methyl-5-[3-(5-methyl-3-pyridinyl)phenyl]-5-phenylimidazol-4-one?
The IUPAC name of (5R)-2-amino-5-(2-cyclohexylethyl)-5-[[(1S,3R)-3-[(4-methoxy-2-pyridinyl)amino]cyclohexyl]methyl]-3-methylimidazol-4-one;(6S)-2-amino-6-[4-(3-ethoxyphenyl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;2-amino-3-methyl-5-[3-(5-methyl-3-pyridinyl)phenyl]-5-phenylimidazol-4-one (CID 159806110) is (5R)-2-amino-5-(2-cyclohexylethyl)-5-[[(1S,3R)-3-[(4-methoxy-2-pyridinyl)amino]cyclohexyl]methyl]-3-methylimidazol-4-one;(6S)-2-amino-6-[4-(3-ethoxyphenyl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;2-amino-3-methyl-5-[3-(5-methyl-3-pyridinyl)phenyl]-5-phenylimidazol-4-one.
What is the SMILES notation for (5R)-2-amino-5-(2-cyclohexylethyl)-5-[[(1S,3R)-3-[(4-methoxy-2-pyridinyl)amino]cyclohexyl]methyl]-3-methylimidazol-4-one;(6S)-2-amino-6-[4-(3-ethoxyphenyl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;2-amino-3-methyl-5-[3-(5-methyl-3-pyridinyl)phenyl]-5-phenylimidazol-4-one?
The canonical SMILES for (5R)-2-amino-5-(2-cyclohexylethyl)-5-[[(1S,3R)-3-[(4-methoxy-2-pyridinyl)amino]cyclohexyl]methyl]-3-methylimidazol-4-one;(6S)-2-amino-6-[4-(3-ethoxyphenyl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;2-amino-3-methyl-5-[3-(5-methyl-3-pyridinyl)phenyl]-5-phenylimidazol-4-one is CCOc1cccc(-c2csc([C@]3(C)CC(=O)N(C)C(N)=N3)c2)c1.COc1ccnc(N[C@@H]2CCC[C@H](C[C@@]3(CCC4CCCCC4)N=C(N)N(C)C3=O)C2)c1.Cc1cncc(-c2cccc(C3(c4ccccc4)N=C(N)N(C)C3=O)c2)c1.
What is the InChIKey of (5R)-2-amino-5-(2-cyclohexylethyl)-5-[[(1S,3R)-3-[(4-methoxy-2-pyridinyl)amino]cyclohexyl]methyl]-3-methylimidazol-4-one;(6S)-2-amino-6-[4-(3-ethoxyphenyl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;2-amino-3-methyl-5-[3-(5-methyl-3-pyridinyl)phenyl]-5-phenylimidazol-4-one?
The InChIKey is NKKKETXNLALXFW-QTFLBMFTSA-N. The full InChI is InChI=1S/C25H39N5O2.C22H20N4O.C18H21N3O2S/c1-30-23(31)25(29-24(30)26,13-11-18-7-4-3-5-8-18)17-19-9-6-10-20(15-19)28-22-16-21(32-2)12-14-27-22;1-15-11-17(14-24-13-15)16-7-6-10-19(12-16)22(18-8-4-3-5-9-18)20(27)26(2)21(23)25-22;1-4-23-14-7-5-6-12(8-14)13-9-15(24-11-13)18(2)10-16(22)21(3)17(19)20-18/h12,14,16,18-20H,3-11,13,15,17H2,1-2H3,(H2,26,29)(H,27,28);3-14H,1-2H3,(H2,23,25);5-9,11H,4,10H2,1-3H3,(H2,19,20)/t19-,20+,25+;;18-/m0.0/s1.
What are the key properties of (5R)-2-amino-5-(2-cyclohexylethyl)-5-[[(1S,3R)-3-[(4-methoxy-2-pyridinyl)amino]cyclohexyl]methyl]-3-methylimidazol-4-one;(6S)-2-amino-6-[4-(3-ethoxyphenyl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;2-amino-3-methyl-5-[3-(5-methyl-3-pyridinyl)phenyl]-5-phenylimidazol-4-one?
(5R)-2-amino-5-(2-cyclohexylethyl)-5-[[(1S,3R)-3-[(4-methoxy-2-pyridinyl)amino]cyclohexyl]methyl]-3-methylimidazol-4-one;(6S)-2-amino-6-[4-(3-ethoxyphenyl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;2-amino-3-methyl-5-[3-(5-methyl-3-pyridinyl)phenyl]-5-phenylimidazol-4-one has a molecular weight of 1141.50 g/mol, XLogP of 10.63, 15 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2-amino-5-(2-cyclohexylethyl)-5-[[(1S,3R)-3-[(4-methoxy-2-pyridinyl)amino]cyclohexyl]methyl]-3-methylimidazol-4-one;(6S)-2-amino-6-[4-(3-ethoxyphenyl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;2-amino-3-methyl-5-[3-(5-methyl-3-pyridinyl)phenyl]-5-phenylimidazol-4-one is sourced from PubChem (CID 159806110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).