2-[(3-fluorophenyl)methoxy]-1H-pyrimidin-6-one

C11H9FN2O2 — CID 118236098

IUPAC2-[(3-fluorophenyl)methoxy]-1H-pyrimidin-6-one
SMILESO=c1ccnc(OCc2cccc(F)c2)[nH]1
InChIInChI=1S/C11H9FN2O2/c12-9-3-1-2-8(6-9)7-16-11-13-5-4-10(15)14-11/h1-6H,7H2,(H,13,14,15)
InChIKeyXJECYVILJMVVAV-UHFFFAOYSA-N
MW220.20 g/mol
LogP1.49
Rot. Bonds3

About 2-[(3-fluorophenyl)methoxy]-1H-pyrimidin-6-one

2-[(3-fluorophenyl)methoxy]-1H-pyrimidin-6-one (PubChem CID 118236098) has the molecular formula C11H9FN2O2 and a molecular weight of 220.20 g/mol. Its IUPAC name is 2-[(3-fluorophenyl)methoxy]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(3-fluorophenyl)methoxy]-1H-pyrimidin-6-one
PubChem CID118236098
Molecular FormulaC11H9FN2O2
Molecular Weight220.20 g/mol
Exact Mass220.06
IUPAC Name2-[(3-fluorophenyl)methoxy]-1H-pyrimidin-6-one
SMILESO=c1ccnc(OCc2cccc(F)c2)[nH]1
InChIInChI=1S/C11H9FN2O2/c12-9-3-1-2-8(6-9)7-16-11-13-5-4-10(15)14-11/h1-6H,7H2,(H,13,14,15)
InChIKeyXJECYVILJMVVAV-UHFFFAOYSA-N
XLogP1.49
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.20
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Benzyloxy-5-fluoropyrimidin-4-one
CID 12900144
3-(Difluoromethyl)-6-phenylmethoxypyrimidin-4-one
CID 21090118
2-chloro-4-[(2,4-difluorophenyl)methoxy]-1H-pyrimidin-6-one
CID 141127721
5-chloro-4-[(2,4-difluorophenyl)methoxy]-2-(prop-2-enylamino)-1H-pyrimidin-6-one
CID 141127824
2-[(2,4-difluorophenyl)methoxy]-1H-pyrimidin-6-one
CID 142947530
4-[(2,4-difluorophenyl)methoxy]-2-(methylamino)-1H-pyrimidin-6-one
CID 149725162
5-Fluoro-2-phenylmethoxy-1,4-dihydropyrimidin-6-amine
CID 153657673
4-[(2,4-difluorophenyl)methoxy]-2-methyl-1H-pyrimidin-6-one
CID 153728001
2-[(2,4-Difluorophenyl)methoxy]-3-propan-2-ylpyrimidin-4-one
CID 160233392
4-fluoro-2-phenylmethoxy-5-(trifluoromethyl)-1H-pyrimidin-6-one
CID 178643329
benzyl N-(4-oxo-1,4-dihydropyrimidin-2-yl)carbamate
CID 101705349
2-(Benzyloxy)-5-fluoro-3-methylpyrimidin-4(3H)-one
CID 71347455

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorophenyl)methoxy]-1H-pyrimidin-6-one?
The IUPAC name of 2-[(3-fluorophenyl)methoxy]-1H-pyrimidin-6-one (CID 118236098) is 2-[(3-fluorophenyl)methoxy]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(3-fluorophenyl)methoxy]-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(3-fluorophenyl)methoxy]-1H-pyrimidin-6-one is O=c1ccnc(OCc2cccc(F)c2)[nH]1.
What is the InChIKey of 2-[(3-fluorophenyl)methoxy]-1H-pyrimidin-6-one?
The InChIKey is XJECYVILJMVVAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2O2/c12-9-3-1-2-8(6-9)7-16-11-13-5-4-10(15)14-11/h1-6H,7H2,(H,13,14,15).
What are the key properties of 2-[(3-fluorophenyl)methoxy]-1H-pyrimidin-6-one?
2-[(3-fluorophenyl)methoxy]-1H-pyrimidin-6-one has a molecular weight of 220.20 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluorophenyl)methoxy]-1H-pyrimidin-6-one is sourced from PubChem (CID 118236098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).