5-fluoro-2-phenylmethoxy-1H-pyrimidin-6-one

C11H9FN2O2 — CID 12900144

IUPAC5-fluoro-2-phenylmethoxy-1H-pyrimidin-6-one
SMILESO=c1[nH]c(OCc2ccccc2)ncc1F
InChIInChI=1S/C11H9FN2O2/c12-9-6-13-11(14-10(9)15)16-7-8-4-2-1-3-5-8/h1-6H,7H2,(H,13,14,15)
InChIKeyQQWVBUBKEZPRHJ-UHFFFAOYSA-N
MW220.20 g/mol
LogP1.49
Rot. Bonds3

About 5-fluoro-2-phenylmethoxy-1H-pyrimidin-6-one

5-fluoro-2-phenylmethoxy-1H-pyrimidin-6-one (PubChem CID 12900144) has the molecular formula C11H9FN2O2 and a molecular weight of 220.20 g/mol. Its IUPAC name is 5-fluoro-2-phenylmethoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-fluoro-2-phenylmethoxy-1H-pyrimidin-6-one
PubChem CID12900144
Molecular FormulaC11H9FN2O2
Molecular Weight220.20 g/mol
Exact Mass220.06
IUPAC Name5-fluoro-2-phenylmethoxy-1H-pyrimidin-6-one
SMILESO=c1[nH]c(OCc2ccccc2)ncc1F
InChIInChI=1S/C11H9FN2O2/c12-9-6-13-11(14-10(9)15)16-7-8-4-2-1-3-5-8/h1-6H,7H2,(H,13,14,15)
InChIKeyQQWVBUBKEZPRHJ-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

5-(Benzyloxy)pyrimidin-4-ol
CID 262482
2-Amino-5-(benzyloxy)pyrimidin-4(3h)-one
CID 261915
5-Fluoro-1-(phenylmethoxymethyl)pyrimidine-2,4-dione
CID 322854
5-Benzyloxy-4-hydroxy-2-(trifluoromethyl)pyrimidine
CID 19903231
3-(Difluoromethyl)-6-phenylmethoxypyrimidin-4-one
CID 21090118
5-fluoro-2-[(3-methoxyphenyl)methoxy]-1H-pyrimidin-6-one
CID 57818534
4-amino-1-(benzyloxymethyl)-5-fluoropyrimidin-2(1H)-one
CID 58166413
2-[(3-fluorophenyl)methoxy]-1H-pyrimidin-6-one
CID 118236098
[3-[(5-fluoro-6-oxo-1H-pyrimidin-2-yl)oxymethyl]phenyl] cyanate
CID 118312279
5-fluoro-3-(phenylmethoxymethyl)-1H-pyrimidine-2,4-dione
CID 139330532
Benzyl (5-fluoro-4-oxo-1-propan-2-ylpyrimidin-2-yl)sulfanylformate
CID 139542975
2-chloro-4-[(2,4-difluorophenyl)methoxy]-1H-pyrimidin-6-one
CID 141127721

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-phenylmethoxy-1H-pyrimidin-6-one?
The IUPAC name of 5-fluoro-2-phenylmethoxy-1H-pyrimidin-6-one (CID 12900144) is 5-fluoro-2-phenylmethoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 5-fluoro-2-phenylmethoxy-1H-pyrimidin-6-one?
The canonical SMILES for 5-fluoro-2-phenylmethoxy-1H-pyrimidin-6-one is O=c1[nH]c(OCc2ccccc2)ncc1F.
What is the InChIKey of 5-fluoro-2-phenylmethoxy-1H-pyrimidin-6-one?
The InChIKey is QQWVBUBKEZPRHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2O2/c12-9-6-13-11(14-10(9)15)16-7-8-4-2-1-3-5-8/h1-6H,7H2,(H,13,14,15).
What are the key properties of 5-fluoro-2-phenylmethoxy-1H-pyrimidin-6-one?
5-fluoro-2-phenylmethoxy-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 5-fluoro-2-phenylmethoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 12900144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).