1-[2-[[4-(4-fluorophenyl)oxan-4-yl]methyl]pyrimidin-5-yl]-2-hydroxyethanone

C18H19FN2O3 — CID 148949960

IUPAC1-[2-[[4-(4-fluorophenyl)oxan-4-yl]methyl]pyrimidin-5-yl]-2-hydroxyethanone
SMILESO=C(CO)c1cnc(CC2(c3ccc(F)cc3)CCOCC2)nc1
InChIInChI=1S/C18H19FN2O3/c19-15-3-1-14(2-4-15)18(5-7-24-8-6-18)9-17-20-10-13(11-21-17)16(23)12-22/h1-4,10-11,22H,5-9,12H2
InChIKeyPPQUUYVQHIAMOS-UHFFFAOYSA-N
MW330.36 g/mol
LogP2.08
Rot. Bonds5

About 1-[2-[[4-(4-fluorophenyl)oxan-4-yl]methyl]pyrimidin-5-yl]-2-hydroxyethanone

1-[2-[[4-(4-fluorophenyl)oxan-4-yl]methyl]pyrimidin-5-yl]-2-hydroxyethanone (PubChem CID 148949960) has the molecular formula C18H19FN2O3 and a molecular weight of 330.36 g/mol. Its IUPAC name is 1-[2-[[4-(4-fluorophenyl)oxan-4-yl]methyl]pyrimidin-5-yl]-2-hydroxyethanone.

Molecular Properties

Compound Name1-[2-[[4-(4-fluorophenyl)oxan-4-yl]methyl]pyrimidin-5-yl]-2-hydroxyethanone
PubChem CID148949960
Molecular FormulaC18H19FN2O3
Molecular Weight330.36 g/mol
Exact Mass330.14
IUPAC Name1-[2-[[4-(4-fluorophenyl)oxan-4-yl]methyl]pyrimidin-5-yl]-2-hydroxyethanone
SMILESO=C(CO)c1cnc(CC2(c3ccc(F)cc3)CCOCC2)nc1
InChIInChI=1S/C18H19FN2O3/c19-15-3-1-14(2-4-15)18(5-7-24-8-6-18)9-17-20-10-13(11-21-17)16(23)12-22/h1-4,10-11,22H,5-9,12H2
InChIKeyPPQUUYVQHIAMOS-UHFFFAOYSA-N
XLogP2.08
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,2,2-trifluoro-N-[2-[2-[[1-(4-fluorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-oxoethyl]acetamide
CID 159975321
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
2-amino-1-[2-[[1-(4-fluorophenyl)cyclobutyl]methyl]pyrimidin-5-yl]ethanone;2,2,2-trifluoro-N-[2-[2-[[1-(4-fluorophenyl)cyclobutyl]methyl]pyrimidin-5-yl]-2-oxoethyl]acetamide
CID 160601199
2-amino-1-[2-[[1-(3,4-difluorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]ethanone
CID 157269751
1-[2-[(1,4-diphenylpiperidin-4-yl)methyl]pyrimidin-5-yl]-2-hydroxyethanone;ethyl 2-[(1,4-diphenylpiperidin-4-yl)methyl]pyrimidine-5-carboxylate;ethyl 2-[(4-phenylpiperidin-4-yl)methyl]pyrimidine-5-carboxylate
CID 158186500
N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]benzamide
CID 27450186
N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-4-oxo-4-phenylbutanamide
CID 47070990
2-[2-[[1-(4-fluorophenyl)cyclobutyl]methyl]pyrimidin-5-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole
CID 147772733
3-fluoro-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]benzamide
CID 27450060
1-cycloheptyl-3-[[4-(4-fluorophenyl)oxan-4-yl]methyl]urea
CID 71796603
3,4-difluoro-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]benzamide
CID 27450150
2-amino-1-[2-[[1-(4-chlorophenyl)cyclobutyl]methyl]pyrimidin-5-yl]ethanone;N-[2-[2-[[1-(4-chlorophenyl)cyclobutyl]methyl]pyrimidin-5-yl]-2-oxoethyl]-2,2-difluoroacetamide
CID 160979887

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[4-(4-fluorophenyl)oxan-4-yl]methyl]pyrimidin-5-yl]-2-hydroxyethanone?
The IUPAC name of 1-[2-[[4-(4-fluorophenyl)oxan-4-yl]methyl]pyrimidin-5-yl]-2-hydroxyethanone (CID 148949960) is 1-[2-[[4-(4-fluorophenyl)oxan-4-yl]methyl]pyrimidin-5-yl]-2-hydroxyethanone.
What is the SMILES notation for 1-[2-[[4-(4-fluorophenyl)oxan-4-yl]methyl]pyrimidin-5-yl]-2-hydroxyethanone?
The canonical SMILES for 1-[2-[[4-(4-fluorophenyl)oxan-4-yl]methyl]pyrimidin-5-yl]-2-hydroxyethanone is O=C(CO)c1cnc(CC2(c3ccc(F)cc3)CCOCC2)nc1.
What is the InChIKey of 1-[2-[[4-(4-fluorophenyl)oxan-4-yl]methyl]pyrimidin-5-yl]-2-hydroxyethanone?
The InChIKey is PPQUUYVQHIAMOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O3/c19-15-3-1-14(2-4-15)18(5-7-24-8-6-18)9-17-20-10-13(11-21-17)16(23)12-22/h1-4,10-11,22H,5-9,12H2.
What are the key properties of 1-[2-[[4-(4-fluorophenyl)oxan-4-yl]methyl]pyrimidin-5-yl]-2-hydroxyethanone?
1-[2-[[4-(4-fluorophenyl)oxan-4-yl]methyl]pyrimidin-5-yl]-2-hydroxyethanone has a molecular weight of 330.36 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[4-(4-fluorophenyl)oxan-4-yl]methyl]pyrimidin-5-yl]-2-hydroxyethanone is sourced from PubChem (CID 148949960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).