2-(4-fluorophenyl)-4-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one

C15H15FN2O2 — CID 154793646

IUPAC2-(4-fluorophenyl)-4-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one
SMILESO=c1cc(CC2CCCO2)nc(-c2ccc(F)cc2)[nH]1
InChIInChI=1S/C15H15FN2O2/c16-11-5-3-10(4-6-11)15-17-12(9-14(19)18-15)8-13-2-1-7-20-13/h3-6,9,13H,1-2,7-8H2,(H,17,18,19)
InChIKeyMKXYEKXSFDPKGZ-UHFFFAOYSA-N
MW274.30 g/mol
LogP2.30
Rot. Bonds3

About 2-(4-fluorophenyl)-4-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one

2-(4-fluorophenyl)-4-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one (PubChem CID 154793646) has the molecular formula C15H15FN2O2 and a molecular weight of 274.30 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-4-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(4-fluorophenyl)-4-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one
PubChem CID154793646
Molecular FormulaC15H15FN2O2
Molecular Weight274.30 g/mol
Exact Mass274.11
IUPAC Name2-(4-fluorophenyl)-4-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one
SMILESO=c1cc(CC2CCCO2)nc(-c2ccc(F)cc2)[nH]1
InChIInChI=1S/C15H15FN2O2/c16-11-5-3-10(4-6-11)15-17-12(9-14(19)18-15)8-13-2-1-7-20-13/h3-6,9,13H,1-2,7-8H2,(H,17,18,19)
InChIKeyMKXYEKXSFDPKGZ-UHFFFAOYSA-N
XLogP2.30
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-fluorophenyl)-4-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-ethyl-2-[6-[2-[(2S)-oxolan-2-yl]ethylamino]-3-pyridinyl]-1H-pyrimidin-6-one
CID 136714200
3-(oxolan-2-ylmethyl)-1H-pyridazin-6-one
CID 117105951
4-fluoro-2-(oxolan-2-ylmethyl)aniline
CID 105449109
4-(2-methylpropyl)-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one
CID 136964515
2-(4-fluorophenyl)-4-methyl-1H-pyrimidin-6-one
CID 135629608
2-[4-[[2-(4-fluorophenyl)-6-oxo-1H-pyrimidin-4-yl]methyl]piperazin-1-yl]acetic acid
CID 164663616
4-[(cyclopropylamino)methyl]-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one
CID 136852169
6-(4-fluorophenyl)-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyridine-3-carboxamide
CID 95554649
2-[[5-(4-chlorophenyl)-2-(4-fluorophenyl)-1H-imidazol-4-yl]sulfanyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 51467200
2-(oxolan-2-ylmethylsulfanyl)-4-propyl-1H-pyrimidin-6-one
CID 135537400
N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 129364628
2-[[(2R)-oxolan-2-yl]methylamino]-4-propyl-1H-pyrimidin-6-one
CID 136900705

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-4-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-(4-fluorophenyl)-4-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one (CID 154793646) is 2-(4-fluorophenyl)-4-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(4-fluorophenyl)-4-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(4-fluorophenyl)-4-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one is O=c1cc(CC2CCCO2)nc(-c2ccc(F)cc2)[nH]1.
What is the InChIKey of 2-(4-fluorophenyl)-4-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one?
The InChIKey is MKXYEKXSFDPKGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O2/c16-11-5-3-10(4-6-11)15-17-12(9-14(19)18-15)8-13-2-1-7-20-13/h3-6,9,13H,1-2,7-8H2,(H,17,18,19).
What are the key properties of 2-(4-fluorophenyl)-4-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one?
2-(4-fluorophenyl)-4-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one has a molecular weight of 274.30 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-4-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 154793646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).