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

C84H83Cl2F3N10O11 — CID 158062075

IUPAC1-[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
SMILESCc1ccc(C2(Cc3ncc(C(=O)CO)cn3)CC2)cc1.O=C(CO)c1cnc(CC2(c3cccc(Cl)c3)CC2)nc1.O=C(CO)c1cnc(CC2(c3ccccc3)CCOCC2)nc1.O=C(CO)c1cnc(CC2(c3ccccc3C(F)(F)F)CC2)nc1.O=C(CO)c1cnc(CC2(c3ccccc3Cl)CC2)nc1
InChIInChI=1S/C18H20N2O3.C17H15F3N2O2.C17H18N2O2.2C16H15ClN2O2/c21-13-16(22)14-11-19-17(20-12-14)10-18(6-8-23-9-7-18)15-4-2-1-3-5-15;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;1-12-2-4-14(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/h1-5,11-12,21H,6-10,13H2;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
InChIKeyFKTRMNSOPWKJMP-UHFFFAOYSA-N
MW1536.55 g/mol
LogP12.28
Rot. Bonds25

About 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

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 (PubChem CID 158062075) has the molecular formula C84H83Cl2F3N10O11 and a molecular weight of 1536.55 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[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
PubChem CID158062075
Molecular FormulaC84H83Cl2F3N10O11
Molecular Weight1536.55 g/mol
Exact Mass1534.56
IUPAC Name1-[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
SMILESCc1ccc(C2(Cc3ncc(C(=O)CO)cn3)CC2)cc1.O=C(CO)c1cnc(CC2(c3cccc(Cl)c3)CC2)nc1.O=C(CO)c1cnc(CC2(c3ccccc3)CCOCC2)nc1.O=C(CO)c1cnc(CC2(c3ccccc3C(F)(F)F)CC2)nc1.O=C(CO)c1cnc(CC2(c3ccccc3Cl)CC2)nc1
InChIInChI=1S/C18H20N2O3.C17H15F3N2O2.C17H18N2O2.2C16H15ClN2O2/c21-13-16(22)14-11-19-17(20-12-14)10-18(6-8-23-9-7-18)15-4-2-1-3-5-15;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;1-12-2-4-14(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/h1-5,11-12,21H,6-10,13H2;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
InChIKeyFKTRMNSOPWKJMP-UHFFFAOYSA-N
XLogP12.28
TPSA324.63 Ų
H-Bond Donors5
H-Bond Acceptors21
Rotatable Bonds25
Heavy Atoms110
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001536.55
LogP ≤ 512.28
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1021

Analyze 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 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-[2,2-Bis(4-fluorophenyl)propyl]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-[(4-phenyloxan-4-yl)methyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[(1-thiophen-2-ylcyclopropyl)methyl]pyrimidin-5-yl]ethanone
CID 157993111
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
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-(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-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
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-(3-fluorophenyl)cyclohexyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(4-fluorophenyl)cyclohexyl]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 159861214

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ccc(C2(Cc3ncc(C(=O)CO)cn3)CC2)cc1.O=C(CO)c1cnc(CC2(c3cccc(Cl)c3)CC2)nc1.O=C(CO)c1cnc(CC2(c3ccccc3)CCOCC2)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-[[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?
The InChIKey is FKTRMNSOPWKJMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3.C17H15F3N2O2.C17H18N2O2.2C16H15ClN2O2/c21-13-16(22)14-11-19-17(20-12-14)10-18(6-8-23-9-7-18)15-4-2-1-3-5-15;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;1-12-2-4-14(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/h1-5,11-12,21H,6-10,13H2;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-[[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?
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 has a molecular weight of 1536.55 g/mol, XLogP of 12.28, 25 rotatable bonds, 5 hydrogen bond donors, and 21 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-[[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 is sourced from PubChem (CID 158062075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).