1-[2-[[1-(2-chlorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[2-(2-fluoro-4-methylphenyl)-2-methylpropyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(3-fluorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;2-hydroxy-1-[2-[[1-[4-(hydroxymethyl)phenyl]cyclopropyl]methyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[(1-phenylcyclohexyl)methyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[(1-phenylcyclopentyl)methyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[[1-[2-(trifluoromethyl)phenyl]cyclopropyl]methyl]pyrimidin-5-yl]ethanone

C120H124ClF5N14O15 — CID 158352443

IUPAC1-[2-[[1-(2-chlorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[2-(2-fluoro-4-methylphenyl)-2-methylpropyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(3-fluorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;2-hydroxy-1-[2-[[1-[4-(hydroxymethyl)phenyl]cyclopropyl]methyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[(1-phenylcyclohexyl)methyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[(1-phenylcyclopentyl)methyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[[1-[2-(trifluoromethyl)phenyl]cyclopropyl]methyl]pyrimidin-5-yl]ethanone
SMILESCc1ccc(C(C)(C)Cc2ncc(C(=O)CO)cn2)c(F)c1.O=C(CO)c1cnc(CC2(c3ccc(CO)cc3)CC2)nc1.O=C(CO)c1cnc(CC2(c3cccc(F)c3)CC2)nc1.O=C(CO)c1cnc(CC2(c3ccccc3)CCCC2)nc1.O=C(CO)c1cnc(CC2(c3ccccc3)CCCCC2)nc1.O=C(CO)c1cnc(CC2(c3ccccc3C(F)(F)F)CC2)nc1.O=C(CO)c1cnc(CC2(c3ccccc3Cl)CC2)nc1
InChIInChI=1S/C19H22N2O2.C18H20N2O2.C17H15F3N2O2.C17H19FN2O2.C17H18N2O3.C16H15ClN2O2.C16H15FN2O2/c22-14-17(23)15-12-20-18(21-13-15)11-19(9-5-2-6-10-19)16-7-3-1-4-8-16;21-13-16(22)14-11-19-17(20-12-14)10-18(8-4-5-9-18)15-6-2-1-3-7-15;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;1-11-4-5-13(14(18)6-11)17(2,3)7-16-19-8-12(9-20-16)15(22)10-21;20-10-12-1-3-14(4-2-12)17(5-6-17)7-16-18-8-13(9-19-16)15(22)11-21;17-13-4-2-1-3-12(13)16(5-6-16)7-15-18-8-11(9-19-15)14(21)10-20;17-13-3-1-2-12(6-13)16(4-5-16)7-15-18-8-11(9-19-15)14(21)10-20/h1,3-4,7-8,12-13,22H,2,5-6,9-11,14H2;1-3,6-7,11-12,21H,4-5,8-10,13H2;1-4,8-9,23H,5-7,10H2;4-6,8-9,21H,7,10H2,1-3H3;1-4,8-9,20-21H,5-7,10-11H2;1-4,8-9,20H,5-7,10H2;1-3,6,8-9,20H,4-5,7,10H2
InChIKeyGSMFTDMHSCTHHJ-UHFFFAOYSA-N
MW2132.84 g/mol
LogP17.43
Rot. Bonds36

About 1-[2-[[1-(2-chlorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[2-(2-fluoro-4-methylphenyl)-2-methylpropyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(3-fluorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;2-hydroxy-1-[2-[[1-[4-(hydroxymethyl)phenyl]cyclopropyl]methyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[(1-phenylcyclohexyl)methyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[(1-phenylcyclopentyl)methyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[[1-[2-(trifluoromethyl)phenyl]cyclopropyl]methyl]pyrimidin-5-yl]ethanone

1-[2-[[1-(2-chlorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[2-(2-fluoro-4-methylphenyl)-2-methylpropyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(3-fluorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;2-hydroxy-1-[2-[[1-[4-(hydroxymethyl)phenyl]cyclopropyl]methyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[(1-phenylcyclohexyl)methyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[(1-phenylcyclopentyl)methyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[[1-[2-(trifluoromethyl)phenyl]cyclopropyl]methyl]pyrimidin-5-yl]ethanone (PubChem CID 158352443) has the molecular formula C120H124ClF5N14O15 and a molecular weight of 2132.84 g/mol. Its IUPAC name is 1-[2-[[1-(2-chlorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[2-(2-fluoro-4-methylphenyl)-2-methylpropyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(3-fluorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;2-hydroxy-1-[2-[[1-[4-(hydroxymethyl)phenyl]cyclopropyl]methyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[(1-phenylcyclohexyl)methyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[(1-phenylcyclopentyl)methyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[[1-[2-(trifluoromethyl)phenyl]cyclopropyl]methyl]pyrimidin-5-yl]ethanone.

Molecular Properties

Compound Name1-[2-[[1-(2-chlorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[2-(2-fluoro-4-methylphenyl)-2-methylpropyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(3-fluorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;2-hydroxy-1-[2-[[1-[4-(hydroxymethyl)phenyl]cyclopropyl]methyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[(1-phenylcyclohexyl)methyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[(1-phenylcyclopentyl)methyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[[1-[2-(trifluoromethyl)phenyl]cyclopropyl]methyl]pyrimidin-5-yl]ethanone
PubChem CID158352443
Molecular FormulaC120H124ClF5N14O15
Molecular Weight2132.84 g/mol
Exact Mass2130.90
IUPAC Name1-[2-[[1-(2-chlorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[2-(2-fluoro-4-methylphenyl)-2-methylpropyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(3-fluorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;2-hydroxy-1-[2-[[1-[4-(hydroxymethyl)phenyl]cyclopropyl]methyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[(1-phenylcyclohexyl)methyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[(1-phenylcyclopentyl)methyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[[1-[2-(trifluoromethyl)phenyl]cyclopropyl]methyl]pyrimidin-5-yl]ethanone
SMILESCc1ccc(C(C)(C)Cc2ncc(C(=O)CO)cn2)c(F)c1.O=C(CO)c1cnc(CC2(c3ccc(CO)cc3)CC2)nc1.O=C(CO)c1cnc(CC2(c3cccc(F)c3)CC2)nc1.O=C(CO)c1cnc(CC2(c3ccccc3)CCCC2)nc1.O=C(CO)c1cnc(CC2(c3ccccc3)CCCCC2)nc1.O=C(CO)c1cnc(CC2(c3ccccc3C(F)(F)F)CC2)nc1.O=C(CO)c1cnc(CC2(c3ccccc3Cl)CC2)nc1
InChIInChI=1S/C19H22N2O2.C18H20N2O2.C17H15F3N2O2.C17H19FN2O2.C17H18N2O3.C16H15ClN2O2.C16H15FN2O2/c22-14-17(23)15-12-20-18(21-13-15)11-19(9-5-2-6-10-19)16-7-3-1-4-8-16;21-13-16(22)14-11-19-17(20-12-14)10-18(8-4-5-9-18)15-6-2-1-3-7-15;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;1-11-4-5-13(14(18)6-11)17(2,3)7-16-19-8-12(9-20-16)15(22)10-21;20-10-12-1-3-14(4-2-12)17(5-6-17)7-16-18-8-13(9-19-16)15(22)11-21;17-13-4-2-1-3-12(13)16(5-6-16)7-15-18-8-11(9-19-15)14(21)10-20;17-13-3-1-2-12(6-13)16(4-5-16)7-15-18-8-11(9-19-15)14(21)10-20/h1,3-4,7-8,12-13,22H,2,5-6,9-11,14H2;1-3,6-7,11-12,21H,4-5,8-10,13H2;1-4,8-9,23H,5-7,10H2;4-6,8-9,21H,7,10H2,1-3H3;1-4,8-9,20-21H,5-7,10-11H2;1-4,8-9,20H,5-7,10H2;1-3,6,8-9,20H,4-5,7,10H2
InChIKeyGSMFTDMHSCTHHJ-UHFFFAOYSA-N
XLogP17.43
TPSA461.79 Ų
H-Bond Donors8
H-Bond Acceptors29
Rotatable Bonds36
Heavy Atoms155
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002132.84
LogP ≤ 517.43
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1029

Analyze 1-[2-[[1-(2-chlorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[2-(2-fluoro-4-methylphenyl)-2-methylpropyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(3-fluorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;2-hydroxy-1-[2-[[1-[4-(hydroxymethyl)phenyl]cyclopropyl]methyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[(1-phenylcyclohexyl)methyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[(1-phenylcyclopentyl)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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Related Compounds

1-[2-[[1-(2-Chloro-4-fluorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(3,5-dichlorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(3-fluorophenyl)cyclopentyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(4-fluorophenyl)cyclopentyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[4-(3-fluorophenyl)oxan-4-yl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;2-hydroxy-1-[2-[[1-[3-methyl-5-(trifluoromethyl)phenyl]cyclopropyl]methyl]pyrimidin-5-yl]ethanone
CID 157327893
1-[2-[[1-(2-Chlorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(3-chlorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(4-fluorophenyl)cyclohexyl]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 157334537
1-[2-[[1-(2-Chloro-4-fluorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(3,5-dichlorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(2,3-difluorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(4-fluorophenyl)cyclopentyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[4-(3-fluorophenyl)oxan-4-yl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;bis(2-hydroxy-1-[2-[[1-[3-methyl-5-(trifluoromethyl)phenyl]cyclopropyl]methyl]pyrimidin-5-yl]ethanone)
CID 157643483
1-[2-[2-(2,6-Dichlorophenyl)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-(4-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 157729263
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-[[1-(4-methylphenyl)cyclopropyl]methyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[(4-phenyloxan-4-yl)methyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[[1-[2-(trifluoromethyl)phenyl]cyclopropyl]methyl]pyrimidin-5-yl]ethanone
CID 158062075
1-[2-[[1-(2-Chloro-4-fluorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(3,5-dichlorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(3-fluorophenyl)cyclopentyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(4-fluorophenyl)cyclopentyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;bis(2-hydroxy-1-[2-[[1-[3-methyl-5-(trifluoromethyl)phenyl]cyclopropyl]methyl]pyrimidin-5-yl]ethanone)
CID 158600653
1-[2-[[1-(3,5-Dichlorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(3-fluorophenyl)cyclopentyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(4-fluorophenyl)cyclopentyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[4-(3-fluorophenyl)oxan-4-yl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[4-(4-fluorophenyl)oxan-4-yl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;2-hydroxy-1-[2-[[1-[3-methyl-5-(trifluoromethyl)phenyl]cyclopropyl]methyl]pyrimidin-5-yl]ethanone
CID 158630777
1-[2-[[1-(3,4-Dichlorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(2,3-difluorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(3,4-difluorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(4-fluoro-3-methylphenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;2-hydroxy-1-[2-[[1-(3-methoxy-4-methylphenyl)cyclopropyl]methyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[[1-[3-methyl-5-(trifluoromethyl)phenyl]cyclopropyl]methyl]pyrimidin-5-yl]ethanone
CID 158637239
1-[2-[[1-(2-Chlorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[2-(3,4-dichlorophenyl)-2-methylpropyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[2-(2-fluoro-4-methylphenyl)-2-methylpropyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(2-fluorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;2-hydroxy-1-[2-[[1-[4-(hydroxymethyl)phenyl]cyclopropyl]methyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[2-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]propyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[(1-phenylcyclohexyl)methyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[(1-phenylcyclopentyl)methyl]pyrimidin-5-yl]ethanone
CID 158942861
1-[2-[2-(2,4-Difluorophenyl)-2-methylpropyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[2-(4-fluoro-2-methylphenyl)-2-methylpropyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[2-(2-fluorophenyl)-2-methylpropyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[2-(4-fluorophenyl)-2-methylpropyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[2-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]pyrimidin-5-yl]-2-hydroxyethanone;2-hydroxy-1-[2-[2-methyl-2-(4-methylphenyl)propyl]pyrimidin-5-yl]ethanone
CID 159232538
1-[2-[[1-(2-Chloro-4-fluorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(3,5-dichlorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(3-fluorophenyl)cyclopentyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(4-fluorophenyl)cyclopentyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;2-hydroxy-1-[2-[[1-(4-methoxyphenyl)cyclopentyl]methyl]pyrimidin-5-yl]ethanone;bis(2-hydroxy-1-[2-[[1-[3-methyl-5-(trifluoromethyl)phenyl]cyclopropyl]methyl]pyrimidin-5-yl]ethanone)
CID 159662738
1-[2-[[1-(2-Chlorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(2-fluorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(3-fluorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(4-fluorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;2-hydroxy-1-[2-[[1-[4-(hydroxymethyl)phenyl]cyclopropyl]methyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[(1-phenylcyclohexyl)methyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[(1-phenylcyclopentyl)methyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[[1-[2-(trifluoromethyl)phenyl]cyclopropyl]methyl]pyrimidin-5-yl]ethanone
CID 159683477

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[1-(2-chlorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[2-(2-fluoro-4-methylphenyl)-2-methylpropyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(3-fluorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;2-hydroxy-1-[2-[[1-[4-(hydroxymethyl)phenyl]cyclopropyl]methyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[(1-phenylcyclohexyl)methyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[(1-phenylcyclopentyl)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-[[1-(2-chlorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[2-(2-fluoro-4-methylphenyl)-2-methylpropyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(3-fluorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;2-hydroxy-1-[2-[[1-[4-(hydroxymethyl)phenyl]cyclopropyl]methyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[(1-phenylcyclohexyl)methyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[(1-phenylcyclopentyl)methyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[[1-[2-(trifluoromethyl)phenyl]cyclopropyl]methyl]pyrimidin-5-yl]ethanone (CID 158352443) is 1-[2-[[1-(2-chlorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[2-(2-fluoro-4-methylphenyl)-2-methylpropyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(3-fluorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;2-hydroxy-1-[2-[[1-[4-(hydroxymethyl)phenyl]cyclopropyl]methyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[(1-phenylcyclohexyl)methyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[(1-phenylcyclopentyl)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-[[1-(2-chlorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[2-(2-fluoro-4-methylphenyl)-2-methylpropyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(3-fluorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;2-hydroxy-1-[2-[[1-[4-(hydroxymethyl)phenyl]cyclopropyl]methyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[(1-phenylcyclohexyl)methyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[(1-phenylcyclopentyl)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-[[1-(2-chlorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[2-(2-fluoro-4-methylphenyl)-2-methylpropyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(3-fluorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;2-hydroxy-1-[2-[[1-[4-(hydroxymethyl)phenyl]cyclopropyl]methyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[(1-phenylcyclohexyl)methyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[(1-phenylcyclopentyl)methyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[[1-[2-(trifluoromethyl)phenyl]cyclopropyl]methyl]pyrimidin-5-yl]ethanone is Cc1ccc(C(C)(C)Cc2ncc(C(=O)CO)cn2)c(F)c1.O=C(CO)c1cnc(CC2(c3ccc(CO)cc3)CC2)nc1.O=C(CO)c1cnc(CC2(c3cccc(F)c3)CC2)nc1.O=C(CO)c1cnc(CC2(c3ccccc3)CCCC2)nc1.O=C(CO)c1cnc(CC2(c3ccccc3)CCCCC2)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-[[1-(2-chlorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[2-(2-fluoro-4-methylphenyl)-2-methylpropyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(3-fluorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;2-hydroxy-1-[2-[[1-[4-(hydroxymethyl)phenyl]cyclopropyl]methyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[(1-phenylcyclohexyl)methyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[(1-phenylcyclopentyl)methyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[[1-[2-(trifluoromethyl)phenyl]cyclopropyl]methyl]pyrimidin-5-yl]ethanone?
The InChIKey is GSMFTDMHSCTHHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2.C18H20N2O2.C17H15F3N2O2.C17H19FN2O2.C17H18N2O3.C16H15ClN2O2.C16H15FN2O2/c22-14-17(23)15-12-20-18(21-13-15)11-19(9-5-2-6-10-19)16-7-3-1-4-8-16;21-13-16(22)14-11-19-17(20-12-14)10-18(8-4-5-9-18)15-6-2-1-3-7-15;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;1-11-4-5-13(14(18)6-11)17(2,3)7-16-19-8-12(9-20-16)15(22)10-21;20-10-12-1-3-14(4-2-12)17(5-6-17)7-16-18-8-13(9-19-16)15(22)11-21;17-13-4-2-1-3-12(13)16(5-6-16)7-15-18-8-11(9-19-15)14(21)10-20;17-13-3-1-2-12(6-13)16(4-5-16)7-15-18-8-11(9-19-15)14(21)10-20/h1,3-4,7-8,12-13,22H,2,5-6,9-11,14H2;1-3,6-7,11-12,21H,4-5,8-10,13H2;1-4,8-9,23H,5-7,10H2;4-6,8-9,21H,7,10H2,1-3H3;1-4,8-9,20-21H,5-7,10-11H2;1-4,8-9,20H,5-7,10H2;1-3,6,8-9,20H,4-5,7,10H2.
What are the key properties of 1-[2-[[1-(2-chlorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[2-(2-fluoro-4-methylphenyl)-2-methylpropyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(3-fluorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;2-hydroxy-1-[2-[[1-[4-(hydroxymethyl)phenyl]cyclopropyl]methyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[(1-phenylcyclohexyl)methyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[(1-phenylcyclopentyl)methyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[[1-[2-(trifluoromethyl)phenyl]cyclopropyl]methyl]pyrimidin-5-yl]ethanone?
1-[2-[[1-(2-chlorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[2-(2-fluoro-4-methylphenyl)-2-methylpropyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(3-fluorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;2-hydroxy-1-[2-[[1-[4-(hydroxymethyl)phenyl]cyclopropyl]methyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[(1-phenylcyclohexyl)methyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[(1-phenylcyclopentyl)methyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[[1-[2-(trifluoromethyl)phenyl]cyclopropyl]methyl]pyrimidin-5-yl]ethanone has a molecular weight of 2132.84 g/mol, XLogP of 17.43, 36 rotatable bonds, 8 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[1-(2-chlorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[2-(2-fluoro-4-methylphenyl)-2-methylpropyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(3-fluorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;2-hydroxy-1-[2-[[1-[4-(hydroxymethyl)phenyl]cyclopropyl]methyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[(1-phenylcyclohexyl)methyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[(1-phenylcyclopentyl)methyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[[1-[2-(trifluoromethyl)phenyl]cyclopropyl]methyl]pyrimidin-5-yl]ethanone is sourced from PubChem (CID 158352443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).