1-[2-[[1-(3-fluorophenyl)cyclohexyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[2-(2-methoxy-5-methylphenyl)ethyl]pyrimidin-5-yl]propan-1-one;1-[2-[(1-phenylcyclopropyl)methyl]pyrimidin-5-yl]propan-1-one

C53H59FN6O5 — CID 158733032

IUPAC1-[2-[[1-(3-fluorophenyl)cyclohexyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[2-(2-methoxy-5-methylphenyl)ethyl]pyrimidin-5-yl]propan-1-one;1-[2-[(1-phenylcyclopropyl)methyl]pyrimidin-5-yl]propan-1-one
SMILESCCC(=O)c1cnc(CC2(c3ccccc3)CC2)nc1.CCC(=O)c1cnc(CCc2cc(C)ccc2OC)nc1.O=C(CO)c1cnc(CC2(c3cccc(F)c3)CCCCC2)nc1
InChIInChI=1S/C19H21FN2O2.C17H20N2O2.C17H18N2O/c20-16-6-4-5-15(9-16)19(7-2-1-3-8-19)10-18-21-11-14(12-22-18)17(24)13-23;1-4-15(20)14-10-18-17(19-11-14)8-6-13-9-12(2)5-7-16(13)21-3;1-2-15(20)13-11-18-16(19-12-13)10-17(8-9-17)14-6-4-3-5-7-14/h4-6,9,11-12,23H,1-3,7-8,10,13H2;5,7,9-11H,4,6,8H2,1-3H3;3-7,11-12H,2,8-10H2,1H3
InChIKeyILIJCQLKKRTHMX-UHFFFAOYSA-N
MW879.09 g/mol
LogP9.75
Rot. Bonds16

About 1-[2-[[1-(3-fluorophenyl)cyclohexyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[2-(2-methoxy-5-methylphenyl)ethyl]pyrimidin-5-yl]propan-1-one;1-[2-[(1-phenylcyclopropyl)methyl]pyrimidin-5-yl]propan-1-one

1-[2-[[1-(3-fluorophenyl)cyclohexyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[2-(2-methoxy-5-methylphenyl)ethyl]pyrimidin-5-yl]propan-1-one;1-[2-[(1-phenylcyclopropyl)methyl]pyrimidin-5-yl]propan-1-one (PubChem CID 158733032) has the molecular formula C53H59FN6O5 and a molecular weight of 879.09 g/mol. Its IUPAC name is 1-[2-[[1-(3-fluorophenyl)cyclohexyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[2-(2-methoxy-5-methylphenyl)ethyl]pyrimidin-5-yl]propan-1-one;1-[2-[(1-phenylcyclopropyl)methyl]pyrimidin-5-yl]propan-1-one.

Molecular Properties

Compound Name1-[2-[[1-(3-fluorophenyl)cyclohexyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[2-(2-methoxy-5-methylphenyl)ethyl]pyrimidin-5-yl]propan-1-one;1-[2-[(1-phenylcyclopropyl)methyl]pyrimidin-5-yl]propan-1-one
PubChem CID158733032
Molecular FormulaC53H59FN6O5
Molecular Weight879.09 g/mol
Exact Mass878.45
IUPAC Name1-[2-[[1-(3-fluorophenyl)cyclohexyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[2-(2-methoxy-5-methylphenyl)ethyl]pyrimidin-5-yl]propan-1-one;1-[2-[(1-phenylcyclopropyl)methyl]pyrimidin-5-yl]propan-1-one
SMILESCCC(=O)c1cnc(CC2(c3ccccc3)CC2)nc1.CCC(=O)c1cnc(CCc2cc(C)ccc2OC)nc1.O=C(CO)c1cnc(CC2(c3cccc(F)c3)CCCCC2)nc1
InChIInChI=1S/C19H21FN2O2.C17H20N2O2.C17H18N2O/c20-16-6-4-5-15(9-16)19(7-2-1-3-8-19)10-18-21-11-14(12-22-18)17(24)13-23;1-4-15(20)14-10-18-17(19-11-14)8-6-13-9-12(2)5-7-16(13)21-3;1-2-15(20)13-11-18-16(19-12-13)10-17(8-9-17)14-6-4-3-5-7-14/h4-6,9,11-12,23H,1-3,7-8,10,13H2;5,7,9-11H,4,6,8H2,1-3H3;3-7,11-12H,2,8-10H2,1H3
InChIKeyILIJCQLKKRTHMX-UHFFFAOYSA-N
XLogP9.75
TPSA158.01 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds16
Heavy Atoms65
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500879.09
LogP ≤ 59.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze 1-[2-[[1-(3-fluorophenyl)cyclohexyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[2-(2-methoxy-5-methylphenyl)ethyl]pyrimidin-5-yl]propan-1-one;1-[2-[(1-phenylcyclopropyl)methyl]pyrimidin-5-yl]propan-1-one with MolForge

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Related Compounds

1-[2-[[1-(3-fluorophenyl)cyclohexyl]methyl]pyrimidin-5-yl]propan-1-one;2-hydroxy-1-[2-[(1-phenylcyclohexyl)methyl]pyrimidin-5-yl]ethanone
CID 159930346
1-[2-[[1-(3-chloro-4-fluorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(3,5-difluorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;2-hydroxy-1-[2-[[1-(3-methoxy-5-methylphenyl)cyclopropyl]methyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[[1-(2-methoxyphenyl)cyclopropyl]methyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[[1-(2-methylphenyl)cyclopropyl]methyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[[1-(3-methylphenyl)cyclopropyl]methyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[(1-phenylcyclobutyl)methyl]pyrimidin-5-yl]ethanone
CID 158892040
2-amino-1-[2-[[1-(3-methylphenyl)cyclobutyl]methyl]pyrimidin-5-yl]ethanone
CID 157226916
ethyl 2-chloropyrimidine-5-carboxylate;ethyl 2-[(1-phenylcyclopentyl)methyl]pyrimidine-5-carboxylate;1-phenylcyclopentan-1-amine;hydrochloride
CID 158541933
1-[(2-methoxy-5-methylphenyl)methyl]cyclooctane-1-carboxylic acid
CID 80609485
1-(2,6-difluorophenyl)-2-(2-methoxy-5-methylphenyl)ethanone
CID 79522962
3-(5-fluoro-2-methoxyphenyl)-1-phenylpropan-1-one
CID 82782955
2-amino-1-[2-[[1-(3-methoxyphenyl)cyclopropyl]methyl]pyrimidin-5-yl]ethanone;2,2-difluoro-N-[2-[2-[[1-(3-methoxyphenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-oxoethyl]acetamide
CID 159220890
2-(5-acetyl-2-methoxyphenyl)-N-[(1-phenylcyclopentyl)methyl]acetamide
CID 18128277
1-(1-ethoxycyclopentyl)-2-(2-methoxy-5-methylphenyl)ethanone
CID 116747950
5-fluoro-2-methoxy-N-[2-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 31116235
2-[1-(2-methoxy-5-methylphenyl)cyclohexyl]acetic acid
CID 82090822

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[1-(3-fluorophenyl)cyclohexyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[2-(2-methoxy-5-methylphenyl)ethyl]pyrimidin-5-yl]propan-1-one;1-[2-[(1-phenylcyclopropyl)methyl]pyrimidin-5-yl]propan-1-one?
The IUPAC name of 1-[2-[[1-(3-fluorophenyl)cyclohexyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[2-(2-methoxy-5-methylphenyl)ethyl]pyrimidin-5-yl]propan-1-one;1-[2-[(1-phenylcyclopropyl)methyl]pyrimidin-5-yl]propan-1-one (CID 158733032) is 1-[2-[[1-(3-fluorophenyl)cyclohexyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[2-(2-methoxy-5-methylphenyl)ethyl]pyrimidin-5-yl]propan-1-one;1-[2-[(1-phenylcyclopropyl)methyl]pyrimidin-5-yl]propan-1-one.
What is the SMILES notation for 1-[2-[[1-(3-fluorophenyl)cyclohexyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[2-(2-methoxy-5-methylphenyl)ethyl]pyrimidin-5-yl]propan-1-one;1-[2-[(1-phenylcyclopropyl)methyl]pyrimidin-5-yl]propan-1-one?
The canonical SMILES for 1-[2-[[1-(3-fluorophenyl)cyclohexyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[2-(2-methoxy-5-methylphenyl)ethyl]pyrimidin-5-yl]propan-1-one;1-[2-[(1-phenylcyclopropyl)methyl]pyrimidin-5-yl]propan-1-one is CCC(=O)c1cnc(CC2(c3ccccc3)CC2)nc1.CCC(=O)c1cnc(CCc2cc(C)ccc2OC)nc1.O=C(CO)c1cnc(CC2(c3cccc(F)c3)CCCCC2)nc1.
What is the InChIKey of 1-[2-[[1-(3-fluorophenyl)cyclohexyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[2-(2-methoxy-5-methylphenyl)ethyl]pyrimidin-5-yl]propan-1-one;1-[2-[(1-phenylcyclopropyl)methyl]pyrimidin-5-yl]propan-1-one?
The InChIKey is ILIJCQLKKRTHMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O2.C17H20N2O2.C17H18N2O/c20-16-6-4-5-15(9-16)19(7-2-1-3-8-19)10-18-21-11-14(12-22-18)17(24)13-23;1-4-15(20)14-10-18-17(19-11-14)8-6-13-9-12(2)5-7-16(13)21-3;1-2-15(20)13-11-18-16(19-12-13)10-17(8-9-17)14-6-4-3-5-7-14/h4-6,9,11-12,23H,1-3,7-8,10,13H2;5,7,9-11H,4,6,8H2,1-3H3;3-7,11-12H,2,8-10H2,1H3.
What are the key properties of 1-[2-[[1-(3-fluorophenyl)cyclohexyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[2-(2-methoxy-5-methylphenyl)ethyl]pyrimidin-5-yl]propan-1-one;1-[2-[(1-phenylcyclopropyl)methyl]pyrimidin-5-yl]propan-1-one?
1-[2-[[1-(3-fluorophenyl)cyclohexyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[2-(2-methoxy-5-methylphenyl)ethyl]pyrimidin-5-yl]propan-1-one;1-[2-[(1-phenylcyclopropyl)methyl]pyrimidin-5-yl]propan-1-one has a molecular weight of 879.09 g/mol, XLogP of 9.75, 16 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[1-(3-fluorophenyl)cyclohexyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[2-(2-methoxy-5-methylphenyl)ethyl]pyrimidin-5-yl]propan-1-one;1-[2-[(1-phenylcyclopropyl)methyl]pyrimidin-5-yl]propan-1-one is sourced from PubChem (CID 158733032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).