1-[2-[2-(2,6-dichlorophenyl)ethyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[2-(2,6-dimethoxyphenyl)ethyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[2-(4-fluoro-2-methoxyphenyl)ethyl]pyrimidin-5-yl]-2-hydroxyethanone;2-hydroxy-1-[2-[2-(2-methoxyphenyl)ethyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[2-(3-methylphenyl)ethyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-(2-methyl-2-phenylpropyl)pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[2-[2-(trifluoromethyl)phenyl]ethyl]pyrimidin-5-yl]ethanone

C106H108Cl2F4N14O18 — CID 158561731

IUPAC1-[2-[2-(2,6-dichlorophenyl)ethyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[2-(2,6-dimethoxyphenyl)ethyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[2-(4-fluoro-2-methoxyphenyl)ethyl]pyrimidin-5-yl]-2-hydroxyethanone;2-hydroxy-1-[2-[2-(2-methoxyphenyl)ethyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[2-(3-methylphenyl)ethyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-(2-methyl-2-phenylpropyl)pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[2-[2-(trifluoromethyl)phenyl]ethyl]pyrimidin-5-yl]ethanone
SMILESCC(C)(Cc1ncc(C(=O)CO)cn1)c1ccccc1.COc1cc(F)ccc1CCc1ncc(C(=O)CO)cn1.COc1cccc(OC)c1CCc1ncc(C(=O)CO)cn1.COc1ccccc1CCc1ncc(C(=O)CO)cn1.Cc1cccc(CCc2ncc(C(=O)CO)cn2)c1.O=C(CO)c1cnc(CCc2c(Cl)cccc2Cl)nc1.O=C(CO)c1cnc(CCc2ccccc2C(F)(F)F)nc1
InChIInChI=1S/C16H18N2O4.C16H18N2O2.C15H13F3N2O2.C15H15FN2O3.C15H16N2O3.C15H16N2O2.C14H12Cl2N2O2/c1-21-14-4-3-5-15(22-2)12(14)6-7-16-17-8-11(9-18-16)13(20)10-19;1-16(2,13-6-4-3-5-7-13)8-15-17-9-12(10-18-15)14(20)11-19;16-15(17,18)12-4-2-1-3-10(12)5-6-14-19-7-11(8-20-14)13(22)9-21;1-21-14-6-12(16)4-2-10(14)3-5-15-17-7-11(8-18-15)13(20)9-19;1-20-14-5-3-2-4-11(14)6-7-15-16-8-12(9-17-15)13(19)10-18;1-11-3-2-4-12(7-11)5-6-15-16-8-13(9-17-15)14(19)10-18;15-11-2-1-3-12(16)10(11)4-5-14-17-6-9(7-18-14)13(20)8-19/h3-5,8-9,19H,6-7,10H2,1-2H3;3-7,9-10,19H,8,11H2,1-2H3;1-4,7-8,21H,5-6,9H2;2,4,6-8,19H,3,5,9H2,1H3;2-5,8-9,18H,6-7,10H2,1H3;2-4,7-9,18H,5-6,10H2,1H3;1-3,6-7,19H,4-5,8H2
InChIKeyHQYVRBZQVIBBTO-UHFFFAOYSA-N
MW2013.01 g/mol
LogP13.60
Rot. Bonds39

About 1-[2-[2-(2,6-dichlorophenyl)ethyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[2-(2,6-dimethoxyphenyl)ethyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[2-(4-fluoro-2-methoxyphenyl)ethyl]pyrimidin-5-yl]-2-hydroxyethanone;2-hydroxy-1-[2-[2-(2-methoxyphenyl)ethyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[2-(3-methylphenyl)ethyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-(2-methyl-2-phenylpropyl)pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[2-[2-(trifluoromethyl)phenyl]ethyl]pyrimidin-5-yl]ethanone

1-[2-[2-(2,6-dichlorophenyl)ethyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[2-(2,6-dimethoxyphenyl)ethyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[2-(4-fluoro-2-methoxyphenyl)ethyl]pyrimidin-5-yl]-2-hydroxyethanone;2-hydroxy-1-[2-[2-(2-methoxyphenyl)ethyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[2-(3-methylphenyl)ethyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-(2-methyl-2-phenylpropyl)pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[2-[2-(trifluoromethyl)phenyl]ethyl]pyrimidin-5-yl]ethanone (PubChem CID 158561731) has the molecular formula C106H108Cl2F4N14O18 and a molecular weight of 2013.01 g/mol. Its IUPAC name is 1-[2-[2-(2,6-dichlorophenyl)ethyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[2-(2,6-dimethoxyphenyl)ethyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[2-(4-fluoro-2-methoxyphenyl)ethyl]pyrimidin-5-yl]-2-hydroxyethanone;2-hydroxy-1-[2-[2-(2-methoxyphenyl)ethyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[2-(3-methylphenyl)ethyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-(2-methyl-2-phenylpropyl)pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[2-[2-(trifluoromethyl)phenyl]ethyl]pyrimidin-5-yl]ethanone.

Molecular Properties

Compound Name1-[2-[2-(2,6-dichlorophenyl)ethyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[2-(2,6-dimethoxyphenyl)ethyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[2-(4-fluoro-2-methoxyphenyl)ethyl]pyrimidin-5-yl]-2-hydroxyethanone;2-hydroxy-1-[2-[2-(2-methoxyphenyl)ethyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[2-(3-methylphenyl)ethyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-(2-methyl-2-phenylpropyl)pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[2-[2-(trifluoromethyl)phenyl]ethyl]pyrimidin-5-yl]ethanone
PubChem CID158561731
Molecular FormulaC106H108Cl2F4N14O18
Molecular Weight2013.01 g/mol
Exact Mass2010.73
IUPAC Name1-[2-[2-(2,6-dichlorophenyl)ethyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[2-(2,6-dimethoxyphenyl)ethyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[2-(4-fluoro-2-methoxyphenyl)ethyl]pyrimidin-5-yl]-2-hydroxyethanone;2-hydroxy-1-[2-[2-(2-methoxyphenyl)ethyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[2-(3-methylphenyl)ethyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-(2-methyl-2-phenylpropyl)pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[2-[2-(trifluoromethyl)phenyl]ethyl]pyrimidin-5-yl]ethanone
SMILESCC(C)(Cc1ncc(C(=O)CO)cn1)c1ccccc1.COc1cc(F)ccc1CCc1ncc(C(=O)CO)cn1.COc1cccc(OC)c1CCc1ncc(C(=O)CO)cn1.COc1ccccc1CCc1ncc(C(=O)CO)cn1.Cc1cccc(CCc2ncc(C(=O)CO)cn2)c1.O=C(CO)c1cnc(CCc2c(Cl)cccc2Cl)nc1.O=C(CO)c1cnc(CCc2ccccc2C(F)(F)F)nc1
InChIInChI=1S/C16H18N2O4.C16H18N2O2.C15H13F3N2O2.C15H15FN2O3.C15H16N2O3.C15H16N2O2.C14H12Cl2N2O2/c1-21-14-4-3-5-15(22-2)12(14)6-7-16-17-8-11(9-18-16)13(20)10-19;1-16(2,13-6-4-3-5-7-13)8-15-17-9-12(10-18-15)14(20)11-19;16-15(17,18)12-4-2-1-3-10(12)5-6-14-19-7-11(8-20-14)13(22)9-21;1-21-14-6-12(16)4-2-10(14)3-5-15-17-7-11(8-18-15)13(20)9-19;1-20-14-5-3-2-4-11(14)6-7-15-16-8-12(9-17-15)13(19)10-18;1-11-3-2-4-12(7-11)5-6-15-16-8-13(9-17-15)14(19)10-18;15-11-2-1-3-12(16)10(11)4-5-14-17-6-9(7-18-14)13(20)8-19/h3-5,8-9,19H,6-7,10H2,1-2H3;3-7,9-10,19H,8,11H2,1-2H3;1-4,7-8,21H,5-6,9H2;2,4,6-8,19H,3,5,9H2,1H3;2-5,8-9,18H,6-7,10H2,1H3;2-4,7-9,18H,5-6,10H2,1H3;1-3,6-7,19H,4-5,8H2
InChIKeyHQYVRBZQVIBBTO-UHFFFAOYSA-N
XLogP13.60
TPSA478.48 Ų
H-Bond Donors7
H-Bond Acceptors32
Rotatable Bonds39
Heavy Atoms144
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002013.01
LogP ≤ 513.60
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1032

Analyze 1-[2-[2-(2,6-dichlorophenyl)ethyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[2-(2,6-dimethoxyphenyl)ethyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[2-(4-fluoro-2-methoxyphenyl)ethyl]pyrimidin-5-yl]-2-hydroxyethanone;2-hydroxy-1-[2-[2-(2-methoxyphenyl)ethyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[2-(3-methylphenyl)ethyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-(2-methyl-2-phenylpropyl)pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[2-[2-(trifluoromethyl)phenyl]ethyl]pyrimidin-5-yl]ethanone with MolForge

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CID 158956717
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CID 160333362
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CID 160772437
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CID 161297850
CID 161297850
CID 161912514
CID 161912514

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(2,6-dichlorophenyl)ethyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[2-(2,6-dimethoxyphenyl)ethyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[2-(4-fluoro-2-methoxyphenyl)ethyl]pyrimidin-5-yl]-2-hydroxyethanone;2-hydroxy-1-[2-[2-(2-methoxyphenyl)ethyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[2-(3-methylphenyl)ethyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-(2-methyl-2-phenylpropyl)pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[2-[2-(trifluoromethyl)phenyl]ethyl]pyrimidin-5-yl]ethanone?
The IUPAC name of 1-[2-[2-(2,6-dichlorophenyl)ethyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[2-(2,6-dimethoxyphenyl)ethyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[2-(4-fluoro-2-methoxyphenyl)ethyl]pyrimidin-5-yl]-2-hydroxyethanone;2-hydroxy-1-[2-[2-(2-methoxyphenyl)ethyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[2-(3-methylphenyl)ethyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-(2-methyl-2-phenylpropyl)pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[2-[2-(trifluoromethyl)phenyl]ethyl]pyrimidin-5-yl]ethanone (CID 158561731) is 1-[2-[2-(2,6-dichlorophenyl)ethyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[2-(2,6-dimethoxyphenyl)ethyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[2-(4-fluoro-2-methoxyphenyl)ethyl]pyrimidin-5-yl]-2-hydroxyethanone;2-hydroxy-1-[2-[2-(2-methoxyphenyl)ethyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[2-(3-methylphenyl)ethyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-(2-methyl-2-phenylpropyl)pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[2-[2-(trifluoromethyl)phenyl]ethyl]pyrimidin-5-yl]ethanone.
What is the SMILES notation for 1-[2-[2-(2,6-dichlorophenyl)ethyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[2-(2,6-dimethoxyphenyl)ethyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[2-(4-fluoro-2-methoxyphenyl)ethyl]pyrimidin-5-yl]-2-hydroxyethanone;2-hydroxy-1-[2-[2-(2-methoxyphenyl)ethyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[2-(3-methylphenyl)ethyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-(2-methyl-2-phenylpropyl)pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[2-[2-(trifluoromethyl)phenyl]ethyl]pyrimidin-5-yl]ethanone?
The canonical SMILES for 1-[2-[2-(2,6-dichlorophenyl)ethyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[2-(2,6-dimethoxyphenyl)ethyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[2-(4-fluoro-2-methoxyphenyl)ethyl]pyrimidin-5-yl]-2-hydroxyethanone;2-hydroxy-1-[2-[2-(2-methoxyphenyl)ethyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[2-(3-methylphenyl)ethyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-(2-methyl-2-phenylpropyl)pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[2-[2-(trifluoromethyl)phenyl]ethyl]pyrimidin-5-yl]ethanone is CC(C)(Cc1ncc(C(=O)CO)cn1)c1ccccc1.COc1cc(F)ccc1CCc1ncc(C(=O)CO)cn1.COc1cccc(OC)c1CCc1ncc(C(=O)CO)cn1.COc1ccccc1CCc1ncc(C(=O)CO)cn1.Cc1cccc(CCc2ncc(C(=O)CO)cn2)c1.O=C(CO)c1cnc(CCc2c(Cl)cccc2Cl)nc1.O=C(CO)c1cnc(CCc2ccccc2C(F)(F)F)nc1.
What is the InChIKey of 1-[2-[2-(2,6-dichlorophenyl)ethyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[2-(2,6-dimethoxyphenyl)ethyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[2-(4-fluoro-2-methoxyphenyl)ethyl]pyrimidin-5-yl]-2-hydroxyethanone;2-hydroxy-1-[2-[2-(2-methoxyphenyl)ethyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[2-(3-methylphenyl)ethyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-(2-methyl-2-phenylpropyl)pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[2-[2-(trifluoromethyl)phenyl]ethyl]pyrimidin-5-yl]ethanone?
The InChIKey is HQYVRBZQVIBBTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4.C16H18N2O2.C15H13F3N2O2.C15H15FN2O3.C15H16N2O3.C15H16N2O2.C14H12Cl2N2O2/c1-21-14-4-3-5-15(22-2)12(14)6-7-16-17-8-11(9-18-16)13(20)10-19;1-16(2,13-6-4-3-5-7-13)8-15-17-9-12(10-18-15)14(20)11-19;16-15(17,18)12-4-2-1-3-10(12)5-6-14-19-7-11(8-20-14)13(22)9-21;1-21-14-6-12(16)4-2-10(14)3-5-15-17-7-11(8-18-15)13(20)9-19;1-20-14-5-3-2-4-11(14)6-7-15-16-8-12(9-17-15)13(19)10-18;1-11-3-2-4-12(7-11)5-6-15-16-8-13(9-17-15)14(19)10-18;15-11-2-1-3-12(16)10(11)4-5-14-17-6-9(7-18-14)13(20)8-19/h3-5,8-9,19H,6-7,10H2,1-2H3;3-7,9-10,19H,8,11H2,1-2H3;1-4,7-8,21H,5-6,9H2;2,4,6-8,19H,3,5,9H2,1H3;2-5,8-9,18H,6-7,10H2,1H3;2-4,7-9,18H,5-6,10H2,1H3;1-3,6-7,19H,4-5,8H2.
What are the key properties of 1-[2-[2-(2,6-dichlorophenyl)ethyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[2-(2,6-dimethoxyphenyl)ethyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[2-(4-fluoro-2-methoxyphenyl)ethyl]pyrimidin-5-yl]-2-hydroxyethanone;2-hydroxy-1-[2-[2-(2-methoxyphenyl)ethyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[2-(3-methylphenyl)ethyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-(2-methyl-2-phenylpropyl)pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[2-[2-(trifluoromethyl)phenyl]ethyl]pyrimidin-5-yl]ethanone?
1-[2-[2-(2,6-dichlorophenyl)ethyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[2-(2,6-dimethoxyphenyl)ethyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[2-(4-fluoro-2-methoxyphenyl)ethyl]pyrimidin-5-yl]-2-hydroxyethanone;2-hydroxy-1-[2-[2-(2-methoxyphenyl)ethyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[2-(3-methylphenyl)ethyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-(2-methyl-2-phenylpropyl)pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[2-[2-(trifluoromethyl)phenyl]ethyl]pyrimidin-5-yl]ethanone has a molecular weight of 2013.01 g/mol, XLogP of 13.60, 39 rotatable bonds, 7 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(2,6-dichlorophenyl)ethyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[2-(2,6-dimethoxyphenyl)ethyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[2-(4-fluoro-2-methoxyphenyl)ethyl]pyrimidin-5-yl]-2-hydroxyethanone;2-hydroxy-1-[2-[2-(2-methoxyphenyl)ethyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[2-(3-methylphenyl)ethyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-(2-methyl-2-phenylpropyl)pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[2-[2-(trifluoromethyl)phenyl]ethyl]pyrimidin-5-yl]ethanone is sourced from PubChem (CID 158561731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).