1-[2-[2,2-bis(4-fluorophenyl)ethyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(2-chlorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(3-chlorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;2-hydroxy-1-[2-[2-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]propyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[[1-(4-methylphenyl)cyclopropyl]methyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[[1-[2-(trifluoromethyl)phenyl]cyclopropyl]methyl]pyrimidin-5-yl]ethanone

C104H98Cl2F8N12O12 — CID 161098061

IUPAC1-[2-[2,2-bis(4-fluorophenyl)ethyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(2-chlorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(3-chlorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;2-hydroxy-1-[2-[2-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]propyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[[1-(4-methylphenyl)cyclopropyl]methyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[[1-[2-(trifluoromethyl)phenyl]cyclopropyl]methyl]pyrimidin-5-yl]ethanone
SMILESCc1cc(C(F)(F)F)cc(C(C)(C)Cc2ncc(C(=O)CO)cn2)c1.Cc1ccc(C2(Cc3ncc(C(=O)CO)cn3)CC2)cc1.O=C(CO)c1cnc(CC(c2ccc(F)cc2)c2ccc(F)cc2)nc1.O=C(CO)c1cnc(CC2(c3cccc(Cl)c3)CC2)nc1.O=C(CO)c1cnc(CC2(c3ccccc3C(F)(F)F)CC2)nc1.O=C(CO)c1cnc(CC2(c3ccccc3Cl)CC2)nc1
InChIInChI=1S/C20H16F2N2O2.C18H19F3N2O2.C17H15F3N2O2.C17H18N2O2.2C16H15ClN2O2/c21-16-5-1-13(2-6-16)18(14-3-7-17(22)8-4-14)9-20-23-10-15(11-24-20)19(26)12-25;1-11-4-13(6-14(5-11)18(19,20)21)17(2,3)7-16-22-8-12(9-23-16)15(25)10-24;18-17(19,20)13-4-2-1-3-12(13)16(5-6-16)7-15-21-8-11(9-22-15)14(24)10-23;1-12-2-4-14(5-3-12)17(6-7-17)8-16-18-9-13(10-19-16)15(21)11-20;17-13-3-1-2-12(6-13)16(4-5-16)7-15-18-8-11(9-19-15)14(21)10-20;17-13-4-2-1-3-12(13)16(5-6-16)7-15-18-8-11(9-19-15)14(21)10-20/h1-8,10-11,18,25H,9,12H2;4-6,8-9,24H,7,10H2,1-3H3;1-4,8-9,23H,5-7,10H2;2-5,9-10,20H,6-8,11H2,1H3;1-3,6,8-9,20H,4-5,7,10H2;1-4,8-9,20H,5-7,10H2
InChIKeyUIBCFAYMKNCTHP-UHFFFAOYSA-N
MW1930.89 g/mol
LogP17.14
Rot. Bonds31

About 1-[2-[2,2-bis(4-fluorophenyl)ethyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(2-chlorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(3-chlorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;2-hydroxy-1-[2-[2-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]propyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[[1-(4-methylphenyl)cyclopropyl]methyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[[1-[2-(trifluoromethyl)phenyl]cyclopropyl]methyl]pyrimidin-5-yl]ethanone

1-[2-[2,2-bis(4-fluorophenyl)ethyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(2-chlorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(3-chlorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;2-hydroxy-1-[2-[2-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]propyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[[1-(4-methylphenyl)cyclopropyl]methyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[[1-[2-(trifluoromethyl)phenyl]cyclopropyl]methyl]pyrimidin-5-yl]ethanone (PubChem CID 161098061) has the molecular formula C104H98Cl2F8N12O12 and a molecular weight of 1930.89 g/mol. Its IUPAC name is 1-[2-[2,2-bis(4-fluorophenyl)ethyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(2-chlorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(3-chlorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;2-hydroxy-1-[2-[2-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]propyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[[1-(4-methylphenyl)cyclopropyl]methyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[[1-[2-(trifluoromethyl)phenyl]cyclopropyl]methyl]pyrimidin-5-yl]ethanone.

Molecular Properties

Compound Name1-[2-[2,2-bis(4-fluorophenyl)ethyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(2-chlorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(3-chlorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;2-hydroxy-1-[2-[2-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]propyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[[1-(4-methylphenyl)cyclopropyl]methyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[[1-[2-(trifluoromethyl)phenyl]cyclopropyl]methyl]pyrimidin-5-yl]ethanone
PubChem CID161098061
Molecular FormulaC104H98Cl2F8N12O12
Molecular Weight1930.89 g/mol
Exact Mass1928.67
IUPAC Name1-[2-[2,2-bis(4-fluorophenyl)ethyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(2-chlorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(3-chlorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;2-hydroxy-1-[2-[2-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]propyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[[1-(4-methylphenyl)cyclopropyl]methyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[[1-[2-(trifluoromethyl)phenyl]cyclopropyl]methyl]pyrimidin-5-yl]ethanone
SMILESCc1cc(C(F)(F)F)cc(C(C)(C)Cc2ncc(C(=O)CO)cn2)c1.Cc1ccc(C2(Cc3ncc(C(=O)CO)cn3)CC2)cc1.O=C(CO)c1cnc(CC(c2ccc(F)cc2)c2ccc(F)cc2)nc1.O=C(CO)c1cnc(CC2(c3cccc(Cl)c3)CC2)nc1.O=C(CO)c1cnc(CC2(c3ccccc3C(F)(F)F)CC2)nc1.O=C(CO)c1cnc(CC2(c3ccccc3Cl)CC2)nc1
InChIInChI=1S/C20H16F2N2O2.C18H19F3N2O2.C17H15F3N2O2.C17H18N2O2.2C16H15ClN2O2/c21-16-5-1-13(2-6-16)18(14-3-7-17(22)8-4-14)9-20-23-10-15(11-24-20)19(26)12-25;1-11-4-13(6-14(5-11)18(19,20)21)17(2,3)7-16-22-8-12(9-23-16)15(25)10-24;18-17(19,20)13-4-2-1-3-12(13)16(5-6-16)7-15-21-8-11(9-22-15)14(24)10-23;1-12-2-4-14(5-3-12)17(6-7-17)8-16-18-9-13(10-19-16)15(21)11-20;17-13-3-1-2-12(6-13)16(4-5-16)7-15-18-8-11(9-19-15)14(21)10-20;17-13-4-2-1-3-12(13)16(5-6-16)7-15-18-8-11(9-19-15)14(21)10-20/h1-8,10-11,18,25H,9,12H2;4-6,8-9,24H,7,10H2,1-3H3;1-4,8-9,23H,5-7,10H2;2-5,9-10,20H,6-8,11H2,1H3;1-3,6,8-9,20H,4-5,7,10H2;1-4,8-9,20H,5-7,10H2
InChIKeyUIBCFAYMKNCTHP-UHFFFAOYSA-N
XLogP17.14
TPSA378.48 Ų
H-Bond Donors6
H-Bond Acceptors24
Rotatable Bonds31
Heavy Atoms138
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001930.89
LogP ≤ 517.14
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1024

Analyze 1-[2-[2,2-bis(4-fluorophenyl)ethyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(2-chlorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(3-chlorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;2-hydroxy-1-[2-[2-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]propyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[[1-(4-methylphenyl)cyclopropyl]methyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[[1-[2-(trifluoromethyl)phenyl]cyclopropyl]methyl]pyrimidin-5-yl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2,2-bis(4-fluorophenyl)ethyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(2-chlorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(3-chlorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;2-hydroxy-1-[2-[2-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]propyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[[1-(4-methylphenyl)cyclopropyl]methyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[[1-[2-(trifluoromethyl)phenyl]cyclopropyl]methyl]pyrimidin-5-yl]ethanone?
The IUPAC name of 1-[2-[2,2-bis(4-fluorophenyl)ethyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(2-chlorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(3-chlorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;2-hydroxy-1-[2-[2-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]propyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[[1-(4-methylphenyl)cyclopropyl]methyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[[1-[2-(trifluoromethyl)phenyl]cyclopropyl]methyl]pyrimidin-5-yl]ethanone (CID 161098061) is 1-[2-[2,2-bis(4-fluorophenyl)ethyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(2-chlorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(3-chlorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;2-hydroxy-1-[2-[2-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]propyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[[1-(4-methylphenyl)cyclopropyl]methyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[[1-[2-(trifluoromethyl)phenyl]cyclopropyl]methyl]pyrimidin-5-yl]ethanone.
What is the SMILES notation for 1-[2-[2,2-bis(4-fluorophenyl)ethyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(2-chlorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(3-chlorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;2-hydroxy-1-[2-[2-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]propyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[[1-(4-methylphenyl)cyclopropyl]methyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[[1-[2-(trifluoromethyl)phenyl]cyclopropyl]methyl]pyrimidin-5-yl]ethanone?
The canonical SMILES for 1-[2-[2,2-bis(4-fluorophenyl)ethyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(2-chlorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(3-chlorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;2-hydroxy-1-[2-[2-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]propyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[[1-(4-methylphenyl)cyclopropyl]methyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[[1-[2-(trifluoromethyl)phenyl]cyclopropyl]methyl]pyrimidin-5-yl]ethanone is Cc1cc(C(F)(F)F)cc(C(C)(C)Cc2ncc(C(=O)CO)cn2)c1.Cc1ccc(C2(Cc3ncc(C(=O)CO)cn3)CC2)cc1.O=C(CO)c1cnc(CC(c2ccc(F)cc2)c2ccc(F)cc2)nc1.O=C(CO)c1cnc(CC2(c3cccc(Cl)c3)CC2)nc1.O=C(CO)c1cnc(CC2(c3ccccc3C(F)(F)F)CC2)nc1.O=C(CO)c1cnc(CC2(c3ccccc3Cl)CC2)nc1.
What is the InChIKey of 1-[2-[2,2-bis(4-fluorophenyl)ethyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(2-chlorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(3-chlorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;2-hydroxy-1-[2-[2-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]propyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[[1-(4-methylphenyl)cyclopropyl]methyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[[1-[2-(trifluoromethyl)phenyl]cyclopropyl]methyl]pyrimidin-5-yl]ethanone?
The InChIKey is UIBCFAYMKNCTHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F2N2O2.C18H19F3N2O2.C17H15F3N2O2.C17H18N2O2.2C16H15ClN2O2/c21-16-5-1-13(2-6-16)18(14-3-7-17(22)8-4-14)9-20-23-10-15(11-24-20)19(26)12-25;1-11-4-13(6-14(5-11)18(19,20)21)17(2,3)7-16-22-8-12(9-23-16)15(25)10-24;18-17(19,20)13-4-2-1-3-12(13)16(5-6-16)7-15-21-8-11(9-22-15)14(24)10-23;1-12-2-4-14(5-3-12)17(6-7-17)8-16-18-9-13(10-19-16)15(21)11-20;17-13-3-1-2-12(6-13)16(4-5-16)7-15-18-8-11(9-19-15)14(21)10-20;17-13-4-2-1-3-12(13)16(5-6-16)7-15-18-8-11(9-19-15)14(21)10-20/h1-8,10-11,18,25H,9,12H2;4-6,8-9,24H,7,10H2,1-3H3;1-4,8-9,23H,5-7,10H2;2-5,9-10,20H,6-8,11H2,1H3;1-3,6,8-9,20H,4-5,7,10H2;1-4,8-9,20H,5-7,10H2.
What are the key properties of 1-[2-[2,2-bis(4-fluorophenyl)ethyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(2-chlorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(3-chlorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;2-hydroxy-1-[2-[2-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]propyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[[1-(4-methylphenyl)cyclopropyl]methyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[[1-[2-(trifluoromethyl)phenyl]cyclopropyl]methyl]pyrimidin-5-yl]ethanone?
1-[2-[2,2-bis(4-fluorophenyl)ethyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(2-chlorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(3-chlorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;2-hydroxy-1-[2-[2-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]propyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[[1-(4-methylphenyl)cyclopropyl]methyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[[1-[2-(trifluoromethyl)phenyl]cyclopropyl]methyl]pyrimidin-5-yl]ethanone has a molecular weight of 1930.89 g/mol, XLogP of 17.14, 31 rotatable bonds, 6 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2,2-bis(4-fluorophenyl)ethyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(2-chlorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(3-chlorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;2-hydroxy-1-[2-[2-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]propyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[[1-(4-methylphenyl)cyclopropyl]methyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[[1-[2-(trifluoromethyl)phenyl]cyclopropyl]methyl]pyrimidin-5-yl]ethanone is sourced from PubChem (CID 161098061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).