3-[2-(2-fluorophenyl)-2-hydroxyethyl]pyrimidin-4-one

C12H11FN2O2 — CID 103734623

IUPAC3-[2-(2-fluorophenyl)-2-hydroxyethyl]pyrimidin-4-one
SMILESO=c1ccncn1CC(O)c1ccccc1F
InChIInChI=1S/C12H11FN2O2/c13-10-4-2-1-3-9(10)11(16)7-15-8-14-6-5-12(15)17/h1-6,8,11,16H,7H2
InChIKeyPEPBQRHHZHGOPV-UHFFFAOYSA-N
MW234.23 g/mol
LogP1.12
Rot. Bonds3

About 3-[2-(2-fluorophenyl)-2-hydroxyethyl]pyrimidin-4-one

3-[2-(2-fluorophenyl)-2-hydroxyethyl]pyrimidin-4-one (PubChem CID 103734623) has the molecular formula C12H11FN2O2 and a molecular weight of 234.23 g/mol. Its IUPAC name is 3-[2-(2-fluorophenyl)-2-hydroxyethyl]pyrimidin-4-one.

Molecular Properties

Compound Name3-[2-(2-fluorophenyl)-2-hydroxyethyl]pyrimidin-4-one
PubChem CID103734623
Molecular FormulaC12H11FN2O2
Molecular Weight234.23 g/mol
Exact Mass234.08
IUPAC Name3-[2-(2-fluorophenyl)-2-hydroxyethyl]pyrimidin-4-one
SMILESO=c1ccncn1CC(O)c1ccccc1F
InChIInChI=1S/C12H11FN2O2/c13-10-4-2-1-3-9(10)11(16)7-15-8-14-6-5-12(15)17/h1-6,8,11,16H,7H2
InChIKeyPEPBQRHHZHGOPV-UHFFFAOYSA-N
XLogP1.12
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.23
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(2-Fluorophenyl)-2-hydroxyethyl]-1-methyl-2,4-dioxopyrimidine-5-carbonitrile
CID 45809542
N-[2-(3,4-difluorophenyl)-2-hydroxyethyl]-6-oxo-1H-pyridine-3-carboxamide
CID 45884347
N-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-6-hydroxypyridine-3-carboxamide
CID 45884357
3-[2-(3-Fluorophenyl)-2-hydroxyethyl]-5,6-dimethylpyrimidin-4-one
CID 75501774
1-[2-[4-[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]ethyl]pyridin-2-one
CID 97191690
5-(2,6-Difluorophenyl)-3-(1,2-dihydroxy-2-phenylethyl)-2-methylpyrimidin-4-one
CID 161167314
1-ethyl-3-[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]-2,4-dioxopyrimidine-5-carbonitrile
CID 36082549
1-ethyl-3-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]-2,4-dioxopyrimidine-5-carbonitrile
CID 36082550
1-Ethyl-3-[2-(4-fluorophenyl)-2-hydroxyethyl]-2,4-dioxopyrimidine-5-carbonitrile
CID 42946444
3-[2-(4-Fluorophenyl)-2-hydroxyethyl]-1-methyl-2,4-dioxopyrimidine-5-carbonitrile
CID 45814154
N-[(2S)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-6-oxo-1H-pyridine-3-carboxamide
CID 51726356
N-[(2R)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-6-oxo-1H-pyridine-3-carboxamide
CID 51726357

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-fluorophenyl)-2-hydroxyethyl]pyrimidin-4-one?
The IUPAC name of 3-[2-(2-fluorophenyl)-2-hydroxyethyl]pyrimidin-4-one (CID 103734623) is 3-[2-(2-fluorophenyl)-2-hydroxyethyl]pyrimidin-4-one.
What is the SMILES notation for 3-[2-(2-fluorophenyl)-2-hydroxyethyl]pyrimidin-4-one?
The canonical SMILES for 3-[2-(2-fluorophenyl)-2-hydroxyethyl]pyrimidin-4-one is O=c1ccncn1CC(O)c1ccccc1F.
What is the InChIKey of 3-[2-(2-fluorophenyl)-2-hydroxyethyl]pyrimidin-4-one?
The InChIKey is PEPBQRHHZHGOPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O2/c13-10-4-2-1-3-9(10)11(16)7-15-8-14-6-5-12(15)17/h1-6,8,11,16H,7H2.
What are the key properties of 3-[2-(2-fluorophenyl)-2-hydroxyethyl]pyrimidin-4-one?
3-[2-(2-fluorophenyl)-2-hydroxyethyl]pyrimidin-4-one has a molecular weight of 234.23 g/mol, XLogP of 1.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-fluorophenyl)-2-hydroxyethyl]pyrimidin-4-one is sourced from PubChem (CID 103734623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).