1-(1,1-dioxothian-4-yl)-3-(4-fluorophenyl)-4-[2-[(4-methylcyclohexyl)amino]pyrimidin-4-yl]imidazol-2-one;1-(1,1-dioxothian-4-yl)-4-[2-[(4-methylcyclohexyl)amino]pyrimidin-4-yl]-3-(3-methylphenyl)imidazol-2-one;3-(4-fluorophenyl)-1-(2-methoxy-2-methylpropyl)-4-[2-[(4-methylcyclohexyl)amino]pyrimidin-4-yl]imidazol-2-one;methane;1-(2-methoxy-2-methylpropyl)-4-[2-[(4-methylcyclohexyl)amino]pyrimidin-4-yl]-3-(3-methylphenyl)imidazol-2-one

C106H146F2N20O10S2 — CID 158409906

IUPAC1-(1,1-dioxothian-4-yl)-3-(4-fluorophenyl)-4-[2-[(4-methylcyclohexyl)amino]pyrimidin-4-yl]imidazol-2-one;1-(1,1-dioxothian-4-yl)-4-[2-[(4-methylcyclohexyl)amino]pyrimidin-4-yl]-3-(3-methylphenyl)imidazol-2-one;3-(4-fluorophenyl)-1-(2-methoxy-2-methylpropyl)-4-[2-[(4-methylcyclohexyl)amino]pyrimidin-4-yl]imidazol-2-one;methane;1-(2-methoxy-2-methylpropyl)-4-[2-[(4-methylcyclohexyl)amino]pyrimidin-4-yl]-3-(3-methylphenyl)imidazol-2-one
SMILESC.C.C.C.CC1CCC(Nc2nccc(-c3cn(C4CCS(=O)(=O)CC4)c(=O)n3-c3ccc(F)cc3)n2)CC1.COC(C)(C)Cn1cc(-c2ccnc(NC3CCC(C)CC3)n2)n(-c2ccc(F)cc2)c1=O.COC(C)(C)Cn1cc(-c2ccnc(NC3CCC(C)CC3)n2)n(-c2cccc(C)c2)c1=O.Cc1cccc(-n2c(-c3ccnc(NC4CCC(C)CC4)n3)cn(C3CCS(=O)(=O)CC3)c2=O)c1
InChIInChI=1S/C26H33N5O3S.C26H35N5O2.C25H30FN5O3S.C25H32FN5O2.4CH4/c1-18-6-8-20(9-7-18)28-25-27-13-10-23(29-25)24-17-30(21-11-14-35(33,34)15-12-21)26(32)31(24)22-5-3-4-19(2)16-22;1-18-9-11-20(12-10-18)28-24-27-14-13-22(29-24)23-16-30(17-26(3,4)33-5)25(32)31(23)21-8-6-7-19(2)15-21;1-17-2-6-19(7-3-17)28-24-27-13-10-22(29-24)23-16-30(20-11-14-35(33,34)15-12-20)25(32)31(23)21-8-4-18(26)5-9-21;1-17-5-9-19(10-6-17)28-23-27-14-13-21(29-23)22-15-30(16-25(2,3)33-4)24(32)31(22)20-11-7-18(26)8-12-20;;;;/h3-5,10,13,16-18,20-21H,6-9,11-12,14-15H2,1-2H3,(H,27,28,29);6-8,13-16,18,20H,9-12,17H2,1-5H3,(H,27,28,29);4-5,8-10,13,16-17,19-20H,2-3,6-7,11-12,14-15H2,1H3,(H,27,28,29);7-8,11-15,17,19H,5-6,9-10,16H2,1-4H3,(H,27,28,29);4*1H4
InChIKeyGZEFABLQQGUOFK-UHFFFAOYSA-N
MW1962.59 g/mol
LogP20.14
Rot. Bonds24

About 1-(1,1-dioxothian-4-yl)-3-(4-fluorophenyl)-4-[2-[(4-methylcyclohexyl)amino]pyrimidin-4-yl]imidazol-2-one;1-(1,1-dioxothian-4-yl)-4-[2-[(4-methylcyclohexyl)amino]pyrimidin-4-yl]-3-(3-methylphenyl)imidazol-2-one;3-(4-fluorophenyl)-1-(2-methoxy-2-methylpropyl)-4-[2-[(4-methylcyclohexyl)amino]pyrimidin-4-yl]imidazol-2-one;methane;1-(2-methoxy-2-methylpropyl)-4-[2-[(4-methylcyclohexyl)amino]pyrimidin-4-yl]-3-(3-methylphenyl)imidazol-2-one

1-(1,1-dioxothian-4-yl)-3-(4-fluorophenyl)-4-[2-[(4-methylcyclohexyl)amino]pyrimidin-4-yl]imidazol-2-one;1-(1,1-dioxothian-4-yl)-4-[2-[(4-methylcyclohexyl)amino]pyrimidin-4-yl]-3-(3-methylphenyl)imidazol-2-one;3-(4-fluorophenyl)-1-(2-methoxy-2-methylpropyl)-4-[2-[(4-methylcyclohexyl)amino]pyrimidin-4-yl]imidazol-2-one;methane;1-(2-methoxy-2-methylpropyl)-4-[2-[(4-methylcyclohexyl)amino]pyrimidin-4-yl]-3-(3-methylphenyl)imidazol-2-one (PubChem CID 158409906) has the molecular formula C106H146F2N20O10S2 and a molecular weight of 1962.59 g/mol. Its IUPAC name is 1-(1,1-dioxothian-4-yl)-3-(4-fluorophenyl)-4-[2-[(4-methylcyclohexyl)amino]pyrimidin-4-yl]imidazol-2-one;1-(1,1-dioxothian-4-yl)-4-[2-[(4-methylcyclohexyl)amino]pyrimidin-4-yl]-3-(3-methylphenyl)imidazol-2-one;3-(4-fluorophenyl)-1-(2-methoxy-2-methylpropyl)-4-[2-[(4-methylcyclohexyl)amino]pyrimidin-4-yl]imidazol-2-one;methane;1-(2-methoxy-2-methylpropyl)-4-[2-[(4-methylcyclohexyl)amino]pyrimidin-4-yl]-3-(3-methylphenyl)imidazol-2-one.

Molecular Properties

Compound Name1-(1,1-dioxothian-4-yl)-3-(4-fluorophenyl)-4-[2-[(4-methylcyclohexyl)amino]pyrimidin-4-yl]imidazol-2-one;1-(1,1-dioxothian-4-yl)-4-[2-[(4-methylcyclohexyl)amino]pyrimidin-4-yl]-3-(3-methylphenyl)imidazol-2-one;3-(4-fluorophenyl)-1-(2-methoxy-2-methylpropyl)-4-[2-[(4-methylcyclohexyl)amino]pyrimidin-4-yl]imidazol-2-one;methane;1-(2-methoxy-2-methylpropyl)-4-[2-[(4-methylcyclohexyl)amino]pyrimidin-4-yl]-3-(3-methylphenyl)imidazol-2-one
PubChem CID158409906
Molecular FormulaC106H146F2N20O10S2
Molecular Weight1962.59 g/mol
Exact Mass1961.09
IUPAC Name1-(1,1-dioxothian-4-yl)-3-(4-fluorophenyl)-4-[2-[(4-methylcyclohexyl)amino]pyrimidin-4-yl]imidazol-2-one;1-(1,1-dioxothian-4-yl)-4-[2-[(4-methylcyclohexyl)amino]pyrimidin-4-yl]-3-(3-methylphenyl)imidazol-2-one;3-(4-fluorophenyl)-1-(2-methoxy-2-methylpropyl)-4-[2-[(4-methylcyclohexyl)amino]pyrimidin-4-yl]imidazol-2-one;methane;1-(2-methoxy-2-methylpropyl)-4-[2-[(4-methylcyclohexyl)amino]pyrimidin-4-yl]-3-(3-methylphenyl)imidazol-2-one
SMILESC.C.C.C.CC1CCC(Nc2nccc(-c3cn(C4CCS(=O)(=O)CC4)c(=O)n3-c3ccc(F)cc3)n2)CC1.COC(C)(C)Cn1cc(-c2ccnc(NC3CCC(C)CC3)n2)n(-c2ccc(F)cc2)c1=O.COC(C)(C)Cn1cc(-c2ccnc(NC3CCC(C)CC3)n2)n(-c2cccc(C)c2)c1=O.Cc1cccc(-n2c(-c3ccnc(NC4CCC(C)CC4)n3)cn(C3CCS(=O)(=O)CC3)c2=O)c1
InChIInChI=1S/C26H33N5O3S.C26H35N5O2.C25H30FN5O3S.C25H32FN5O2.4CH4/c1-18-6-8-20(9-7-18)28-25-27-13-10-23(29-25)24-17-30(21-11-14-35(33,34)15-12-21)26(32)31(24)22-5-3-4-19(2)16-22;1-18-9-11-20(12-10-18)28-24-27-14-13-22(29-24)23-16-30(17-26(3,4)33-5)25(32)31(23)21-8-6-7-19(2)15-21;1-17-2-6-19(7-3-17)28-24-27-13-10-22(29-24)23-16-30(20-11-14-35(33,34)15-12-20)25(32)31(23)21-8-4-18(26)5-9-21;1-17-5-9-19(10-6-17)28-23-27-14-13-21(29-23)22-15-30(16-25(2,3)33-4)24(32)31(22)20-11-7-18(26)8-12-20;;;;/h3-5,10,13,16-18,20-21H,6-9,11-12,14-15H2,1-2H3,(H,27,28,29);6-8,13-16,18,20H,9-12,17H2,1-5H3,(H,27,28,29);4-5,8-10,13,16-17,19-20H,2-3,6-7,11-12,14-15H2,1H3,(H,27,28,29);7-8,11-15,17,19H,5-6,9-10,16H2,1-4H3,(H,27,28,29);4*1H4
InChIKeyGZEFABLQQGUOFK-UHFFFAOYSA-N
XLogP20.14
TPSA345.70 Ų
H-Bond Donors4
H-Bond Acceptors30
Rotatable Bonds24
Heavy Atoms140
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001962.59
LogP ≤ 520.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1030

Analyze 1-(1,1-dioxothian-4-yl)-3-(4-fluorophenyl)-4-[2-[(4-methylcyclohexyl)amino]pyrimidin-4-yl]imidazol-2-one;1-(1,1-dioxothian-4-yl)-4-[2-[(4-methylcyclohexyl)amino]pyrimidin-4-yl]-3-(3-methylphenyl)imidazol-2-one;3-(4-fluorophenyl)-1-(2-methoxy-2-methylpropyl)-4-[2-[(4-methylcyclohexyl)amino]pyrimidin-4-yl]imidazol-2-one;methane;1-(2-methoxy-2-methylpropyl)-4-[2-[(4-methylcyclohexyl)amino]pyrimidin-4-yl]-3-(3-methylphenyl)imidazol-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dioxothian-4-yl)-3-(4-fluorophenyl)-4-[2-[(4-methylcyclohexyl)amino]pyrimidin-4-yl]imidazol-2-one;1-(1,1-dioxothian-4-yl)-4-[2-[(4-methylcyclohexyl)amino]pyrimidin-4-yl]-3-(3-methylphenyl)imidazol-2-one;3-(4-fluorophenyl)-1-(2-methoxy-2-methylpropyl)-4-[2-[(4-methylcyclohexyl)amino]pyrimidin-4-yl]imidazol-2-one;methane;1-(2-methoxy-2-methylpropyl)-4-[2-[(4-methylcyclohexyl)amino]pyrimidin-4-yl]-3-(3-methylphenyl)imidazol-2-one?
The IUPAC name of 1-(1,1-dioxothian-4-yl)-3-(4-fluorophenyl)-4-[2-[(4-methylcyclohexyl)amino]pyrimidin-4-yl]imidazol-2-one;1-(1,1-dioxothian-4-yl)-4-[2-[(4-methylcyclohexyl)amino]pyrimidin-4-yl]-3-(3-methylphenyl)imidazol-2-one;3-(4-fluorophenyl)-1-(2-methoxy-2-methylpropyl)-4-[2-[(4-methylcyclohexyl)amino]pyrimidin-4-yl]imidazol-2-one;methane;1-(2-methoxy-2-methylpropyl)-4-[2-[(4-methylcyclohexyl)amino]pyrimidin-4-yl]-3-(3-methylphenyl)imidazol-2-one (CID 158409906) is 1-(1,1-dioxothian-4-yl)-3-(4-fluorophenyl)-4-[2-[(4-methylcyclohexyl)amino]pyrimidin-4-yl]imidazol-2-one;1-(1,1-dioxothian-4-yl)-4-[2-[(4-methylcyclohexyl)amino]pyrimidin-4-yl]-3-(3-methylphenyl)imidazol-2-one;3-(4-fluorophenyl)-1-(2-methoxy-2-methylpropyl)-4-[2-[(4-methylcyclohexyl)amino]pyrimidin-4-yl]imidazol-2-one;methane;1-(2-methoxy-2-methylpropyl)-4-[2-[(4-methylcyclohexyl)amino]pyrimidin-4-yl]-3-(3-methylphenyl)imidazol-2-one.
What is the SMILES notation for 1-(1,1-dioxothian-4-yl)-3-(4-fluorophenyl)-4-[2-[(4-methylcyclohexyl)amino]pyrimidin-4-yl]imidazol-2-one;1-(1,1-dioxothian-4-yl)-4-[2-[(4-methylcyclohexyl)amino]pyrimidin-4-yl]-3-(3-methylphenyl)imidazol-2-one;3-(4-fluorophenyl)-1-(2-methoxy-2-methylpropyl)-4-[2-[(4-methylcyclohexyl)amino]pyrimidin-4-yl]imidazol-2-one;methane;1-(2-methoxy-2-methylpropyl)-4-[2-[(4-methylcyclohexyl)amino]pyrimidin-4-yl]-3-(3-methylphenyl)imidazol-2-one?
The canonical SMILES for 1-(1,1-dioxothian-4-yl)-3-(4-fluorophenyl)-4-[2-[(4-methylcyclohexyl)amino]pyrimidin-4-yl]imidazol-2-one;1-(1,1-dioxothian-4-yl)-4-[2-[(4-methylcyclohexyl)amino]pyrimidin-4-yl]-3-(3-methylphenyl)imidazol-2-one;3-(4-fluorophenyl)-1-(2-methoxy-2-methylpropyl)-4-[2-[(4-methylcyclohexyl)amino]pyrimidin-4-yl]imidazol-2-one;methane;1-(2-methoxy-2-methylpropyl)-4-[2-[(4-methylcyclohexyl)amino]pyrimidin-4-yl]-3-(3-methylphenyl)imidazol-2-one is C.C.C.C.CC1CCC(Nc2nccc(-c3cn(C4CCS(=O)(=O)CC4)c(=O)n3-c3ccc(F)cc3)n2)CC1.COC(C)(C)Cn1cc(-c2ccnc(NC3CCC(C)CC3)n2)n(-c2ccc(F)cc2)c1=O.COC(C)(C)Cn1cc(-c2ccnc(NC3CCC(C)CC3)n2)n(-c2cccc(C)c2)c1=O.Cc1cccc(-n2c(-c3ccnc(NC4CCC(C)CC4)n3)cn(C3CCS(=O)(=O)CC3)c2=O)c1.
What is the InChIKey of 1-(1,1-dioxothian-4-yl)-3-(4-fluorophenyl)-4-[2-[(4-methylcyclohexyl)amino]pyrimidin-4-yl]imidazol-2-one;1-(1,1-dioxothian-4-yl)-4-[2-[(4-methylcyclohexyl)amino]pyrimidin-4-yl]-3-(3-methylphenyl)imidazol-2-one;3-(4-fluorophenyl)-1-(2-methoxy-2-methylpropyl)-4-[2-[(4-methylcyclohexyl)amino]pyrimidin-4-yl]imidazol-2-one;methane;1-(2-methoxy-2-methylpropyl)-4-[2-[(4-methylcyclohexyl)amino]pyrimidin-4-yl]-3-(3-methylphenyl)imidazol-2-one?
The InChIKey is GZEFABLQQGUOFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N5O3S.C26H35N5O2.C25H30FN5O3S.C25H32FN5O2.4CH4/c1-18-6-8-20(9-7-18)28-25-27-13-10-23(29-25)24-17-30(21-11-14-35(33,34)15-12-21)26(32)31(24)22-5-3-4-19(2)16-22;1-18-9-11-20(12-10-18)28-24-27-14-13-22(29-24)23-16-30(17-26(3,4)33-5)25(32)31(23)21-8-6-7-19(2)15-21;1-17-2-6-19(7-3-17)28-24-27-13-10-22(29-24)23-16-30(20-11-14-35(33,34)15-12-20)25(32)31(23)21-8-4-18(26)5-9-21;1-17-5-9-19(10-6-17)28-23-27-14-13-21(29-23)22-15-30(16-25(2,3)33-4)24(32)31(22)20-11-7-18(26)8-12-20;;;;/h3-5,10,13,16-18,20-21H,6-9,11-12,14-15H2,1-2H3,(H,27,28,29);6-8,13-16,18,20H,9-12,17H2,1-5H3,(H,27,28,29);4-5,8-10,13,16-17,19-20H,2-3,6-7,11-12,14-15H2,1H3,(H,27,28,29);7-8,11-15,17,19H,5-6,9-10,16H2,1-4H3,(H,27,28,29);4*1H4.
What are the key properties of 1-(1,1-dioxothian-4-yl)-3-(4-fluorophenyl)-4-[2-[(4-methylcyclohexyl)amino]pyrimidin-4-yl]imidazol-2-one;1-(1,1-dioxothian-4-yl)-4-[2-[(4-methylcyclohexyl)amino]pyrimidin-4-yl]-3-(3-methylphenyl)imidazol-2-one;3-(4-fluorophenyl)-1-(2-methoxy-2-methylpropyl)-4-[2-[(4-methylcyclohexyl)amino]pyrimidin-4-yl]imidazol-2-one;methane;1-(2-methoxy-2-methylpropyl)-4-[2-[(4-methylcyclohexyl)amino]pyrimidin-4-yl]-3-(3-methylphenyl)imidazol-2-one?
1-(1,1-dioxothian-4-yl)-3-(4-fluorophenyl)-4-[2-[(4-methylcyclohexyl)amino]pyrimidin-4-yl]imidazol-2-one;1-(1,1-dioxothian-4-yl)-4-[2-[(4-methylcyclohexyl)amino]pyrimidin-4-yl]-3-(3-methylphenyl)imidazol-2-one;3-(4-fluorophenyl)-1-(2-methoxy-2-methylpropyl)-4-[2-[(4-methylcyclohexyl)amino]pyrimidin-4-yl]imidazol-2-one;methane;1-(2-methoxy-2-methylpropyl)-4-[2-[(4-methylcyclohexyl)amino]pyrimidin-4-yl]-3-(3-methylphenyl)imidazol-2-one has a molecular weight of 1962.59 g/mol, XLogP of 20.14, 24 rotatable bonds, 4 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-dioxothian-4-yl)-3-(4-fluorophenyl)-4-[2-[(4-methylcyclohexyl)amino]pyrimidin-4-yl]imidazol-2-one;1-(1,1-dioxothian-4-yl)-4-[2-[(4-methylcyclohexyl)amino]pyrimidin-4-yl]-3-(3-methylphenyl)imidazol-2-one;3-(4-fluorophenyl)-1-(2-methoxy-2-methylpropyl)-4-[2-[(4-methylcyclohexyl)amino]pyrimidin-4-yl]imidazol-2-one;methane;1-(2-methoxy-2-methylpropyl)-4-[2-[(4-methylcyclohexyl)amino]pyrimidin-4-yl]-3-(3-methylphenyl)imidazol-2-one is sourced from PubChem (CID 158409906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).